SCHEMBL8466580

SCHEMBL8466580

C=C(C(=C)c1ccccc1)c1ccccc1.C[Ti](C)(NC(=O)c1ccccc1)C1CCC2C=CC=CC21.[SiH4]

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 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
SCHEMBL8579545 0.94 ALDH1A1 (0.32) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
Butadiene SCHEMBL8466900 0.91 MEN1 (0.31) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL8581525 0.90 ALDH1A1 (0.33) ALDH1A1PKM
SCHEMBL8465295 0.86 ALDH1A1 (0.37) ALDH1A1HTT
SCHEMBL8463614 0.84
SCHEMBL8677349 0.83
SCHEMBL8677279 0.78 RAB9A (0.33) ALDH1A1CYP1A2LMNAHTT
SCHEMBL8579364 0.77
SCHEMBL8463421 0.73 RAB9A (0.33) ALDH1A1CYP1A2LMNAHTT
SCHEMBL8677256 0.72 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767795-B1 GROUP 4 METAL DIENE COMPLEXES AND ADDITION POLYMERIZATION CATALYSTS THEREFROM DOW CHEMICAL CO (US) 1999-12-22 EP disclosed
US-5770538-A Group 4 metal diene complexes and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1998-06-23 US disclosed
EP-0767795-A1 GROUP 4 METAL DIENE COMPLEXES AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1997-04-16 EP disclosed
US-5539068-A Group 4, metal-conjugated diene metallocyclopentene complexes, and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-07-23 US disclosed
US-5486632-A Group 4 metal diene complexes and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-01-23 US disclosed
WO-1996000734-A1 GROUP 4 METAL DIENE COMPLEXES AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1996-01-11 WO disclosed