SCHEMBL3188682

SCHEMBL3188682

BrCc1cccc(C(Br)Br)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
TRPA1 O75762 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PGK1 P00558 3/20 0.38
PGK2 P07205 3/20 0.38
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 1/20 0.30
RECQL P46063 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
SCHEMBL28807621 0.83 TDP1 (0.48) PGK1PGK2TDP1
SCHEMBL25388789 0.83 TSHR (0.41) TSHRTRPA1ALDH1A1PGK1PGK2
SCHEMBL1241836 0.80 ALDH1A1 (0.42) TSHRTRPA1ALDH1A1TDP1RECQL
SCHEMBL5257188 0.80 CYP3A4 (0.43) TRPA1ALDH1A1PGK1PGK2CYP1A2
SCHEMBL5257185 0.80 PGK1 (0.37) PGK1PGK2CES2CES1
SCHEMBL15094029 0.80 DAO (0.45) TSHRTRPA1ALDH1A1PGK1PGK2
SCHEMBL2201031 0.80 TRPA1 (0.48) TSHRTRPA1ALDH1A1PGK1PGK2
SCHEMBL29413218 0.80 DAO (0.45) TSHRTRPA1ALDH1A1PGK1PGK2
SCHEMBL3098904 0.78 TRPA1 (0.52) TSHRTRPA1ALDH1A1CES2CES1
SCHEMBL5250314 0.77 PGK1 (0.42) TSHRTRPA1ALDH1A1PGK1PGK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655323-B2 That can stabily emit light with various spectra, including high energy blue spectra; tris(1-(2'-(9',9'-dimethyl)fluorenyl)-3-methyl-imidazolin-2-ylidene-C,C3') iridium(III); organic light emitting devices THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-02-02 US disclosed
US-7655322-B2 improved stability and efficiency THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-02-02 US disclosed
WO-2005113704-A2 LUMINESCENT COMPOUNDS WITH CARBENE LIGANDS THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-12-01 WO disclosed
US-20050260444-A1 OLEDs utilizing macrocyclic ligand systems SOUTHERN CALIFORNIA, UNIVERSITY OF, THE 2005-11-24 US disclosed
US-20050260445-A1 OLEDs utilizing macrocyclic ligand systems UNIVERSITY OF SOUTHERN CALIFORNIA,THE 2005-11-24 US disclosed
WO-2002066425-A2 COMPOSITIONS AND METHODS FOR HYDRATION OF TERMINAL ALKYNES SAN DIEGO STATE UNIVERSITY FOUNDATION (US) 2002-08-29 WO disclosed
US-6380393-B1 COMPLEX CONTAINING PYRAZOLE RING SAN DIEGO STATE UNIVERSITY FOUNDATION 2002-04-30 US disclosed
WO-2000056717-A1 LIGANDS, TRANSITION METAL COMPLEXES AND METHODS OF USING SAME SAN DIEGO STATE UNIVERSITY FOUNDATION (US) 2000-09-28 WO disclosed