SCHEMBL6047008

SCHEMBL6047008

C=C(C(=O)O)C(Br)c1cccc(Br)c1Br

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HTT P42858 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6046964 0.86 CES2 (0.39) CES2CES1HTTLMNAMAPT
SCHEMBL150469 0.74 EIF2AK2 (0.36)
SCHEMBL28553187 0.71 HPGD (0.42) CES2CES1HTTLMNAMAPT
SCHEMBL7896534 0.71 CYP2C9 (0.33) HTT
SCHEMBL11163987 0.71 CYP2C9 (0.32) HTTATM
SCHEMBL8029377 0.70 L3MBTL1 (0.37) CES2CES1LMNAMAPTXBP1
Methacrylic Acid SCHEMBL15288250 0.70 AKR1C3 (0.38) CES2CES1HTTLMNASMN1; SMN2
SCHEMBL5610465 0.70 CES2 (0.61) CES2CES1LMNAMAPTXBP1
SCHEMBL8945731 0.69 CXCL8 (0.44) HTTLMNAMAPTSMN1; SMN2
SCHEMBL5607045 0.69 CYP2C9 (0.33)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113728054-A Method for improving alkali-resistant solution property of thermoplastic resin 宝理塑料株式会社 2021-11-30 CN disclosed
US-20060292450-A1 Non-aqueous electrolyte secondary battery MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. 2006-12-28 US disclosed
EP-0994907-B1 NOVEL POLYMERISABLE COMPOSITIONS AND OPTICAL LENSES WITH HIGH REFRACTIVE INDEX OBTAINED FROM SAID COMPOSITIONS ESSILOR INT (FR) 2002-03-20 EP disclosed
EP-0994907-A1 NOVEL POLYMERISABLE COMPOSITIONS AND OPTICAL LENSES WITH HIGH REFRACTIVE INDEX OBTAINED FROM SAID COMPOSITIONS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2000-04-26 EP disclosed
WO-1999002575-A1 NOVEL POLYMERISABLE COMPOSITIONS AND OPTICAL LENSES WITH HIGH REFRACTIVE INDEX OBTAINED FROM SAID COMPOSITIONS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1999-01-21 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