SCHEMBL8054345

SCHEMBL8054345

C=C(C)C(=O)OC(CO)N(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
TGFBR1 P36897 1/20 0.31

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
SCHEMBL708376 0.87 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL11416649 0.86 TSHR (0.35) TSHRALDH1A1THRB
Ammonia Solution, Strong SCHEMBL28136352 0.85 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL1252784 0.84 ALDH1A1 (0.39) TSHRALDH1A1THRB
SCHEMBL499702 0.81 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL499655 0.80 TSHR (0.45) TSHR
SCHEMBL499466 0.78 TSHR (0.47) TSHR
Hydrochloric Acid SCHEMBL9421228 0.78 ALDH1A1 (0.34) TSHRALDH1A1THRB
SCHEMBL499771 0.78 TSHR (0.47) TSHR
SCHEMBL500170 0.78 TSHR (0.47) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0106193-A2 Liquid skin cleanser composition UNION CARBIDE CORPORATION (US) 1984-04-25 EP claimed
US-6063368-A MIXTURE OF FOAMING AGENT, WATER SOLUBLE FILM FORMING QUATERNIZED POLYMER AND WATER AVEDA CORPORATION (US) 2000-05-16 US disclosed
US-4465802-A WITH WATER SOLUBLE CATIONIC POLYMER AND CATIONIC SURFACTANT UNION CARBIDE CORPORATION (US) 1984-08-14 US disclosed
US-4362528-A OXIDATION COLOR DYE,CATIONIC POLYMER TO IMPROVE FEEL,SHAMPOO WITH ANIONIC DETERGENT SOCIETE ANONYME DITE: L'OREAL (FR) 1982-12-07 US disclosed
US-4314807-A CATIONIC POLYMER, ANIONIC SURFACTANT SHAMPOO L'OREAL (FR) 1982-02-09 US disclosed
US-3980769-A ANIONIC AND AMPHOTERIC SURFACTANTS L'OREAL (FR) 1976-09-14 US disclosed
US-3958581-A Cosmetic composition containing a cationic polymer and divalent metal salt for strengthening the hair L'OREAL (FR) 1976-05-25 US disclosed
US-3954960-A Hair and similar cosmetic preparations containing a quaternized copolymer of vinyl pyrrolidone GAF CORPORATION (US) 1976-05-04 US disclosed