SCHEMBL3956646

SCHEMBL3956646

C[C@H]1C(O)=C[C@@H]2C[C@H]1C2(C)C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 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
SCHEMBL868850 1.00 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL2840915 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL788339 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL774380 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL775459 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL2836718 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL292192 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8712083 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2844350 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5934323 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1529037-B1 SYNTHESIS OF 2-ALKYLCYSTEINES, 2-(HYDROXYLATED PHENYL)-4-ALKYLTHIAZOLINE-4-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF GENZYME CORP (US) 2009-07-15 EP claimed
US-6878828-B2 Synthesis of 2-alkylcysteine via substituted thiazoline ester GENZYME CORPORATION (US) 2005-04-12 US claimed
EP-1465586-B1 COSMETIC COMPOSITIONS COMPRISING A CYCLODIPEPTIDE COMPOUND UNILEVER PLC (GB) 2007-04-11 EP disclosed
US-6878828-B2 Synthesis of 2-alkylcysteine via substituted thiazoline ester GENZYME CORPORATION (US) 2005-04-12 US disclosed