SCHEMBL4633560

SCHEMBL4633560

COC(=O)C[Ti]C1=CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 3/20 0.32
HTT P42858 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
Hydrochloric Acid SCHEMBL6228068 0.98 L3MBTL1 (0.35) L3MBTL1TSHRHTTHSD17B10ALDH1A1
SCHEMBL4633082 0.94 L3MBTL1 (0.33) L3MBTL1
SCHEMBL4633606 0.81
Hydrochloric Acid SCHEMBL6255946 0.80
SCHEMBL8578906 0.72
Carbon Monoxide SCHEMBL4278019 0.71
Hydrochloric Acid SCHEMBL27348793 0.70
Hydrochloric Acid SCHEMBL9077422 0.70
Hydrochloric Acid SCHEMBL12822131 0.70
SCHEMBL4664217 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1520862-B1 Butadiene polymer, and process for producing conjugated diene polymer AGENCY IND SCIENCE TECHN (JP) 2008-05-28 EP disclosed
EP-1520862-A2 Butadiene polymer, and process for producing conjugated diene polymer JAPAN as Represented by DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2005-04-06 EP disclosed
EP-1054026-B1 BUTADIENE POLYMERS AND PROCESS FOR PRODUCING CONJUGATED DIENE POLYMERS JP AGENCY OF INDUSTRIALSCIENCE (JP) 2004-12-08 EP disclosed
US-6653430-B1 Addition polymerizing in presence of Group 4 metal complex having cyclopentadienyl structure and alumoxane cocatalyst; high cis configuration JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-11-25 US disclosed
EP-1054026-A1 BUTADIENE POLYMERS AND PROCESS FOR PRODUCING CONJUGATED DIENE POLYMERS JAPAN as Represented by DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2000-11-22 EP disclosed