SCHEMBL9005595

SCHEMBL9005595

CCOCCCC[CH]CCCCOCC

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 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
SCHEMBL11548913 0.97 ALDH1A1 (0.38) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL8216526 0.97 ALDH1A1 (0.38) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL11105491 0.94 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL19259382 0.91 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9169632 0.91 HTT (0.35) ALDH1A1TSHRMEN1THRBHTT
SCHEMBL329204 0.91 MEN1 (0.40) ALDH1A1TSHRMEN1THRBHTT
SCHEMBL9186856 0.91 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8670070 0.89 HTT (0.39) ALDH1A1TSHRMEN1THRBHTT
SCHEMBL4394433 0.84 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL9171491 0.82 MEN1 (0.52) ALDH1A1TSHRMEN1THRBHTT

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-0434297-B1 Optically active aromatic compounds, preparation process thereof, and liquid crystal compositions and elements SUMITOMO CHEMICAL CO (JP) 1996-10-16 EP disclosed
US-5238598-A Having trifluoromethyl group; high speed response SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-24 US disclosed
EP-0434297-A2 Optically active aromatic compounds, preparation process thereof, and liquid crystal compositions and elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-06-26 EP disclosed