SCHEMBL7154809

SCHEMBL7154809

C=CC(O)C1(C(=O)O)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5211649 0.77 TSHR (0.35)
SCHEMBL14037335 0.73 FFAR3 (0.40) CYP2C19
SCHEMBL28155068 0.72
SCHEMBL7943781 0.72
SCHEMBL5513287 0.70 CYP2C19 (0.38) CYP2C19
SCHEMBL2862907 0.70 CYP2C19 (0.38) CYP2C19
SCHEMBL11301399 0.70 CYP2C19 (0.38) CYP2C19
SCHEMBL14420982 0.70 FFAR3 (0.42) CYP2C19
SCHEMBL5509879 0.70 CYP2C19 (0.38) CYP2C19
SCHEMBL14037130 0.70 CYP2C19 (0.34) CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043304-B1 Method for producing (hydroxyalkyl)alicyclic carboxylic acids and intermediates therefor NIPPON CATALYTIC CHEM IND (JP) 2004-02-25 EP disclosed
US-6444843-B1 CATALYTIC OXIDATION NIPPON SHOKUBAI CO., LTD. (JP) 2002-09-03 US disclosed
EP-1043304-A1 Method for producing (hydroxyalkyl)alicyclic carboxylic acids and intermediates therefor Nippon Shokubai Co., Ltd. (JP) 2000-10-11 EP disclosed