SCHEMBL8404606

SCHEMBL8404606

Cc1c(C(=O)OCCF)ccc2c1C(OCCF)CCS2(=O)=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8400386 0.89
SCHEMBL8400394 0.87 ALDH1A1 (0.31) ALDH1A1GAATSHR
SCHEMBL8303167 0.78 TAAR1 (0.32) ALDH1A1
SCHEMBL8403800 0.77
SCHEMBL8403793 0.77
SCHEMBL8402382 0.72
SCHEMBL8400570 0.72
SCHEMBL8308293 0.71 RYR2 (0.33) ALDH1A1GAATSHR
SCHEMBL8400572 0.70 L3MBTL1 (0.32) ALDH1A1GAATSHR
SCHEMBL9004017 0.70 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5863866-A HERBICIDES TO KILL WEEDS BUT NOT CROPS IDEMITSU KOSAN CO., LTD. (JP) 1999-01-26 US disclosed
EP-0819691-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-01-21 EP disclosed