SCHEMBL3676582

SCHEMBL3676582

NCC(F)(CN)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KCNN4 O15554 1/20 0.43
KIF11 P52732 8/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
PTPN1 P18031 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL9289093 0.86 TAAR1 (0.50) TAAR1TSHRALDH1A1KCNN4KIF11
SCHEMBL5409516 0.80 TAAR1 (0.48) TAAR1TSHRALDH1A1KCNN4KIF11
SCHEMBL10749002 0.79 TAAR1 (0.52) TAAR1TSHRALDH1A1KCNN4KIF11
SCHEMBL506977 0.79 TAAR1 (0.52) TAAR1TSHRALDH1A1KCNN4KIF11
Hydrochloric Acid SCHEMBL5408810 0.78 TAAR1 (0.46) TAAR1TSHRALDH1A1KCNN4KIF11
Hydrochloric Acid SCHEMBL9280100 0.77 TAAR1 (0.50) TAAR1TSHRALDH1A1KCNN4KIF11
SCHEMBL4371780 0.77 ALDH1A1 (0.47) TAAR1TSHRALDH1A1KCNN4KIF11
SCHEMBL5012067 0.76 TSHR (0.52) TAAR1TSHRALDH1A1KCNN4KIF11
SCHEMBL3671013 0.75 CA2 (0.47) TAAR1TSHRKIF11CA1CA2
SCHEMBL4937013 0.72 TAAR1 (0.56) TAAR1TSHRALDH1A1KCNN4KIF11

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