SCHEMBL8024806

SCHEMBL8024806

CCc1ccc2c(c1)C=CC2[Ti](Cl)(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
MGLL Q99685 1/20 0.33
TRPA1 O75762 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 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
SCHEMBL8034453 0.83 BRD4 (0.42) BRD4MGLLTRPA1CYP1A2CYP2A6
SCHEMBL6055978 0.77 BRD4 (0.45) BRD4MGLLTRPA1CYP1A2CYP2A6
SCHEMBL8040740 0.76
SCHEMBL8034609 0.74 BRD4 (0.45) BRD4MGLLTRPA1CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL8024803 0.72 BRD4 (0.44) BRD4MGLLTRPA1CYP1A2CYP2A6
Bromide SCHEMBL8034447 0.72 BRD4 (0.44) BRD4MGLLTRPA1CYP1A2CYP2A6
SCHEMBL8034637 0.69
SCHEMBL16216129 0.69 BRD4 (0.44) BRD4MGLLTRPA1CYP1A2CYP2A6
SCHEMBL16144807 0.67 TRPA1 (0.30) TRPA1
SCHEMBL13177038 0.62 UTRN (0.40) BRD4TRPA1CYP1A2CYP2A6

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