SCHEMBL3678294

SCHEMBL3678294

CCc1c(F)cc(N)c(N)c1CC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL17692465 0.78 PTK2 (0.39) ALDH1A1
SCHEMBL20149224 0.77 TAAR1 (0.32) TAAR1ALDH1A1
SCHEMBL103249 0.74 POLB (0.38) ALDH1A1
SCHEMBL9494017 0.74 TAAR1 (0.33) TAAR1
SCHEMBL238279 0.74 CYP3A4 (0.40) ALDH1A1
SCHEMBL3668658 0.74 NOS3 (0.31) ALDH1A1
SCHEMBL20149228 0.73 TAAR1 (0.35) TAAR1ALDH1A1
SCHEMBL3669653 0.73 POLB (0.35)
SCHEMBL3668733 0.73 GAA (0.42) ALDH1A1
SCHEMBL979815 0.73 ALDH1A1 (0.34) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed