SCHEMBL8896712

SCHEMBL8896712

CCCCCC(C)(C)C(C)(C)C(O)CC

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
FDPS P14324 10/20 0.34
GGPS1 O95749 7/20 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
SCHEMBL8896064 0.77 TSHR (0.44) TSHRFDPSGGPS1
SCHEMBL8682714 0.76 TSHR (0.42) TSHRFDPSGGPS1
SCHEMBL28511564 0.75 SMPD1 (0.41) TSHRFDPSGGPS1
Ammonia Solution, Strong SCHEMBL28905159 0.75 CA2 (0.36) TSHR
SCHEMBL10893467 0.74 TSHR (0.47) TSHRFDPSGGPS1
SCHEMBL7106475 0.73 FDPS (0.42) TSHRFDPSGGPS1
SCHEMBL8895499 0.73 CA2 (0.36) TSHRFDPS
SCHEMBL8998071 0.73 FDPS (0.42) TSHRFDPSGGPS1
SCHEMBL27947144 0.72 TSHR (0.53) TSHRFDPSGGPS1
SCHEMBL12347328 0.71 TSHR (0.48) TSHRFDPS

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-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed