SCHEMBL5601756

SCHEMBL5601756

CC1=c2ccccc2=C(C(F)(F)F)[N]1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL5602436 0.75 ACHE (0.39) ALDH1A1TSHR
SCHEMBL5601432 0.62 L3MBTL1 (0.37) ALDH1A1TSHR
SCHEMBL5601339 0.61 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL5601888 0.60
SCHEMBL169124 0.54 TSHR (0.47) HSD11B1ALDH1A1TSHR
SCHEMBL29656610 0.54 TSHR (0.47) HSD11B1ALDH1A1TSHR
Ethane SCHEMBL5905678 0.53 TSHR (0.43) ALDH1A1TSHR
Ethane SCHEMBL27463776 0.53 TSHR (0.43) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL1870627 0.53 HSD11B1 (0.45) HSD11B1ALDH1A1TSHR
Toluene SCHEMBL28278346 0.53 TSHR (0.58) HSD11B1ALDH1A1TSHR

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
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed