SCHEMBL4351908

SCHEMBL4351908

C=C(CCCC)C(=O)OCCN

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.43
THRB P10828 2/20 0.43
MAPT P10636 1/20 0.43
CNR1 P21554 1/20 0.43
HTR2C P28335 1/20 0.38
DGKA P23743 1/20 0.37
CYP1A2 P05177 1/20 0.37
CES1 P23141 2/20 0.37
CES2 O00748 1/20 0.37
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.34
ATM Q13315 1/20 0.34
NAAA Q02083 1/20 0.33
CA1 P00915 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1017380 0.95 TSHR (0.49) TSHRALDH1A1THRBMAPTCNR1
SCHEMBL6811021 0.93 TSHR (0.51) TSHRALDH1A1THRBMAPTCNR1
SCHEMBL10830013 0.91 TSHR (0.49) TSHRALDH1A1THRBMAPTCNR1
SCHEMBL2818113 0.89 TSHR (0.40) TSHRALDH1A1THRBMAPTCNR1
SCHEMBL170886 0.88 TSHR (0.52) TSHRALDH1A1THRBDGKACES1
SCHEMBL4453593 0.87 TSHR (0.49) TSHRALDH1A1THRBMAPTCNR1
SCHEMBL3081526 0.86 TSHR (0.55) TSHRALDH1A1THRBDGKACYP1A2
SCHEMBL5167857 0.86 TSHR (0.60) TSHRALDH1A1HTR2CDGKACES1
SCHEMBL3477341 0.86 TSHR (0.50) TSHRALDH1A1THRBDGKACES1
SCHEMBL4128712 0.86 CYP1A2 (0.41) TSHRALDH1A1THRBMAPTCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101535215-A Liquid-repellant and stain-resistant cementitious product DU PONT (US) 2009-09-16 CN claimed
EP-1242553-B1 USE OF AN ADDITIVE FOR REGULATING THE SILICONE/ADHESIVE RELEASE FORCE AT THE INTERFACE OF A HEAT-CURABLE SILICONE/ADHESIVE COMPLEX RHODIA CHIMIE SA (FR) 2006-05-10 EP claimed
US-5445743-A Methacrylate polymers as antifoulants in quench water systems NALCO CHEMICAL COMPANY (US) 1995-08-29 US claimed
EP-4366685-A1 COMPOSITIONS AND METHODS FOR IMPROVING THE PHYSICAL PROPERTIES OF HEALTHY AND DAMAGED HAIR Kevin Murphy Group Pty. Ltd. (AU) 2024-05-15 EP disclosed
CN-116267974-A Zineb and manganese pesticide preparation and preparation method thereof 江苏擎宇化工科技有限公司 2023-06-23 CN disclosed
CN-116210691-A Composition for improving rain wash resistance of protective bactericide and preparation method thereof 江苏擎宇化工科技有限公司 2023-06-06 CN disclosed
CN-115785346-A Synthesis and application of pH-sensitive polymer containing non-pH-sensitive monomer 北京大学 2023-03-14 CN disclosed
WO-2023281310-A1 COMPOSITIONS AND METHODS FOR IMPROVING THE PHYSICAL PROPERTIES OF HEALTHY AND DAMAGED HAIR KEVIN MURPHY GROUP PTY. LTD. (AU) 2023-01-12 WO disclosed
US-11260360-B2 Microencapsulation ENCAPSYS, LLC 2022-03-01 US disclosed
WO-2020081961-A1 ENCAPSULATION ENCAPSYS, LLC (US) 2020-04-23 WO disclosed
US-20200122110-A1 Microencapsulation ENCAPSYS, LLC (US) 2020-04-23 US disclosed
EP-1406981-A1 FLOOR POLISH COMPOSITION JohnsonDiversey, Inc. (US) 2004-04-14 EP disclosed
WO-2003048441-A1 CROSSLINKABLE CATIONIC EMULSION BINDERS AND THEIR USE AS A BINDER FOR NONWOVENS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2003-06-12 WO disclosed
WO-2003002678-A1 FLOOR POLISH COMPOSITION JOHNSONDIVERSEY, INC. (US) 2003-01-09 WO disclosed
CN-1385482-A Aqueous paint compositions and floor polishing compositions JSR K K (JP) 2002-12-18 CN disclosed
CN-1165864-A Method of treating leather with amphoteric polymers ROHM & HAAS (US) 1997-11-26 CN disclosed
US-5445743-A Methacrylate polymers as antifoulants in quench water systems NALCO CHEMICAL COMPANY (US) 1995-08-29 US disclosed
US-5445743-A Methacrylate polymers as antifoulants in quench water systems NALCO CHEMICAL COMPANY (US) 1995-08-29 US disclosed
US-5134175-A Rapid curing high solids mixture of unsaturated prepolymers and monomers, photoinitiators, fillers, surfactants; for protective coatings, printing inks MLT/MICRO-LITE TECHNOLOGY CORPORATION 1992-07-28 US disclosed
US-3950284-A VINYL POLYMERS, GRAFT OR BLOCK POLYMERS TORAY INDUSTRIES, INC. (JA) 1976-04-13 US disclosed