SCHEMBL8040749

SCHEMBL8040749

CCc1cccc2c1C=CC2[Ti](Br)(Br)Br

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.38
GABRB2 P47870 3/20 0.38
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8036421 0.82
SCHEMBL8034466 0.77
SCHEMBL8024822 0.77 TP53 (0.32) GABRA1GABRB2
SCHEMBL8677310 0.76 IAPP (0.33) GABRA1GABRB2
SCHEMBL8036391 0.75
SCHEMBL8038515 0.74 GABRA1 (0.38) GABRA1GABRB2KDM4EMEN1MAPT
SCHEMBL27720739 0.74 GABRA1 (0.38) GABRA1GABRB2KDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL8024789 0.72 GABRA1 (0.36) GABRA1GABRB2KDM4EMEN1MAPT
SCHEMBL8034455 0.72
Dimethylamine SCHEMBL8038480 0.70 GABRA1 (0.34) GABRA1GABRB2KDM4EMEN1MAPT

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-0796875-B1 Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure ENICHEM SPA (IT) 2000-03-29 EP disclosed
US-5721327-A Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure ENICHEM S.P.A. (IT) 1998-02-24 US disclosed
EP-0796875-A2 Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure ENICHEM S.p.A. (IT) 1997-09-24 EP disclosed