SCHEMBL7672216

SCHEMBL7672216

CC(=COC(Br)C(Br)(Br)Cc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
CYP2C9 P11712 2/20 0.41
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 2/20 0.38
HIF1A Q16665 1/20 0.38
RECQL P46063 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CTSK P43235 2/20 0.36
APEX1 P27695 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
TRPA1 O75762 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MMP8 P22894 1/20 0.35
MEN1 O00255 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7675310 0.73 ALPI (0.41) AKR1C3CYP2C9ALDH1A1NPC1RAB9A
SCHEMBL7895046 0.71 ALDH1A1 (0.44) CYP2C9ALDH1A1SMN1; SMN2TSHRHIF1A
SCHEMBL9338801 0.70 AKR1C3 (0.46) AKR1C3CYP2C9ALDH1A1CYP3A4APEX1
SCHEMBL981849 0.70 ALDH1A1 (0.53) AKR1C3CYP2C9ALDH1A1SMN1; SMN2NPC1
SCHEMBL2808822 0.70 ALDH1A1 (0.53) AKR1C3CYP2C9ALDH1A1SMN1; SMN2NPC1
SCHEMBL7895052 0.69 ALDH1A1 (0.42) CYP2C9ALDH1A1SMN1; SMN2TSHRHIF1A
SCHEMBL1901807 0.68 ALDH1A1 (0.47) AKR1C3CYP2C9ALDH1A1SMN1; SMN2NPC1
SCHEMBL4739378 0.68 MTNR1A (0.45) AKR1C3CYP2C9ALDH1A1CYP2C19APEX1
SCHEMBL7896530 0.68 SMN1; SMN2 (0.42) CYP2C9ALDH1A1SMN1; SMN2HIF1ACYP3A4
SCHEMBL7897862 0.67 CYP1A2 (0.50) CYP2C9ALDH1A1SMN1; SMN2TSHRHIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745621-B1 Polymerisable composition based on thio(meth)acrylate monomer, transparent polymer compositions and their optical use ESSILOR INT (FR) 1998-04-15 EP claimed
EP-0745621-A1 Polymerisable composition based on thio(meth)acrylate monomer, transparent polymer compositions and their optional use ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1996-12-04 EP claimed
US-11752713-B2 Polymer composition and methods using said polymer composition to manufacture ophthalmic lens ESSILOR INTERNATIONAL (FR) 2023-09-12 US disclosed
EP-4235273-A2 ADDITIVE MANUFACTURING PROCESSES FOR TRANSPARENT OPHTHALMIC LENS Essilor International (FR) 2023-08-30 EP disclosed
EP-3027396-B1 ADDITIVE MANUFACTURING PROCESSES FOR TRANSPARENT OPHTHALMIC LENS ESSILOR INT (FR) 2023-06-14 EP disclosed
EP-3027397-B1 ADDITIVE MANUFACTURING FOR TRANSPARENT OPHTHALMIC LENS ESSILOR INT (FR) 2021-07-14 EP disclosed
US-20210072425-A1 Polymer Composition and Methods Using Said Polymer Composition to Manufacture Ophthalmic Lens ESSILOR INTERNATIONAL (FR) 2021-03-11 US disclosed
US-9969135-B2 Additive manufacturing for transparent ophthalmic lens ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2018-05-15 US disclosed
EP-3084484-B1 POLYMER COMPOSITION AND METHODS USING SAID POLYMER COMPOSITION TO MANUFACTURE OPHTHALMIC LENS ESSILOR INT (FR) 2018-03-21 EP disclosed
US-20170031059-A1 Polymer Composition and Methods Using Said Polymer Composition to Manufacture Ophthalmic Lens ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-02-02 US disclosed
EP-3084484-A1 POLYMER COMPOSITION AND METHODS USING SAID POLYMER COMPOSITION TO MANUFACTURE OPHTHALMIC LENS Essilor International (Compagnie Générale D'Optique) (FR) 2016-10-26 EP disclosed
EP-3027396-A1 ADDITIVE MANUFACTURING PROCESSES FOR TRANSPARENT OPHTHALMIC LENS Essilor International (Compagnie Générale D'Optique) (FR) 2016-06-08 EP disclosed
US-6472488-B2 MONOMERS CONTAIN THIO-CONTAINING HETEROCYCLES; USE IN MANUFACTURE OF WAVEGUIDES, OPTICAL FIBERS AND SPECTACLE LENSES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2002-10-29 US disclosed
US-20020049289-A1 Novel (thio) (meth) acrylate monomers, intermediate compounds for the synthesis of these monomers polymerizable compositions and polymers obtained, and their optical and ophthalmic uses ESSILOR COMPAGNIE GENERALE D'OPTIQUE 2002-04-25 US disclosed
US-6307062-B1 E.G., METHACRYLIC ESTER OF 1,4-DITHIACYCLOHEPTANE ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-10-23 US disclosed
EP-0901486-B1 NOVEL (THIO)(METH)ACRYLATE MONOMERS, INTERMEDIATE COMPOUNDS FOR THE SYNTHESIS OF THESE MONOMERS, POLYMERISABLE COMPOSITIONS AND RESULTING POLYMERS AND OPTICAL AND OPHTHALMOLOGIC APPLICATIONS THEREOF ESSILOR INT (FR) 2001-09-26 EP disclosed
EP-0901486-A1 NOVEL (THIO)(METH)ACRYLATE MONOMERS, INTERMEDIATE COMPOUNDS FOR THE SYNTHESIS OF THESE MONOMERS, POLYMERISABLE COMPOSITIONS AND RESULTING POLYMERS AND OPTICAL AND OPHTHALMOLOGIC APPLICATIONS THEREOF ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1999-03-17 EP disclosed
WO-1998035955-A1 NOVEL (THIO)(METH)ACRYLATE MONOMERS, INTERMEDIATE COMPOUNDS FOR THE SYNTHESIS OF THESE MONOMERS, POLYMERISABLE COMPOSITIONS AND RESULTING POLYMERS AND OPTICAL AND OPHTHALMOLOGIC APPLICATIONS THEREOF ESSILOR INTERNATIONAL - COMPAGNIE GENERALE D'OPTIQUE (FR) 1998-08-20 WO disclosed
EP-0745621-B1 Polymerisable composition based on thio(meth)acrylate monomer, transparent polymer compositions and their optical use ESSILOR INT (FR) 1998-04-15 EP disclosed
EP-0745621-A1 Polymerisable composition based on thio(meth)acrylate monomer, transparent polymer compositions and their optional use ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1996-12-04 EP disclosed