SCHEMBL8679199

SCHEMBL8679199

C=C(C(=C)c1ccccc1)c1ccccc1.O=CN[Ti]1(C2C=Cc3ccccc32)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8678560 0.88 SIGMAR1 (0.32) SIGMAR1
Butadiene SCHEMBL8676907 0.86 SIGMAR1 (0.31) SIGMAR1
SCHEMBL8681254 0.84 SIGMAR1 (0.30) SIGMAR1
SCHEMBL8678333 0.83 HTT (0.34) MEN1KMT2A
SCHEMBL8679601 0.81
SCHEMBL8678562 0.78 HPGD (0.38)
SCHEMBL8681257 0.77 MAPT (0.32)
Butadiene SCHEMBL8678422 0.76 KDM1A (0.34) MEN1KMT2A
SCHEMBL8678044 0.75 KDM1A (0.34) MEN1KMT2A
SCHEMBL8677387 0.73

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
US-5770538-A Group 4 metal diene complexes and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1998-06-23 US 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