SCHEMBL8465641

SCHEMBL8465641

C=C(C(=C)c1ccccc1)c1ccccc1.C[Ti](C)(NC(=O)C1CCCCCCCCCCC1)C1c2ccccc2-c2ccccc21.[SiH4]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.37
LMNA P02545 1/20 0.36
P2RX7 Q99572 2/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL8463296 0.90 CYP2C19 (0.41) HPGDCYP2C19SMN1; SMN2ALDH1A1HTT
Butadiene SCHEMBL8463476 0.87 CYP2C19 (0.41) HPGDCYP2C19SMN1; SMN2ALDH1A1HTT
SCHEMBL8463320 0.86 CYP2C19 (0.39) HPGDCYP2C19SMN1; SMN2ALDH1A1HTT
SCHEMBL8465761 0.82 KMT2A (0.40) HPGDCYP2C19ALDH1A1GAAHTT
SCHEMBL8462546 0.81 HPGD (0.37) HPGDCYP2C19KCNK3KCNK9SMN1; SMN2
SCHEMBL7743272 0.80 CYP2C19 (0.41) HPGDCYP2C19SMN1; SMN2ALDH1A1GAA
SCHEMBL8008148 0.80 CYP2C19 (0.41) HPGDCYP2C19SMN1; SMN2ALDH1A1GAA
SCHEMBL6471494 0.76 KMT2A (0.38) HPGDCYP2C19SMN1; SMN2RAB9AHDAC1
SCHEMBL8465295 0.75 ALDH1A1 (0.37) HPGDKCNK3KCNK9SMN1; SMN2ALDH1A1
SCHEMBL8678494 0.75 ALDH1A1 (0.37) HPGDCYP2C19KCNK3KCNK9SMN1; SMN2

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