SCHEMBL6903248

SCHEMBL6903248

CCN(CC)CCC1=C([Ti])CC=C1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 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 SCHEMBL4632247 0.98
SCHEMBL4633022 0.93
Hydrochloric Acid SCHEMBL4633244 0.79 TAAR1 (0.32)
Hydrochloric Acid SCHEMBL8831760 0.79 HRH3 (0.32)
Hydrochloric Acid SCHEMBL8148699 0.79 TAAR1 (0.32)
Hydrochloric Acid SCHEMBL4632301 0.76
Bromide SCHEMBL27933365 0.76
Hydrochloric Acid SCHEMBL8466438 0.76
Iodide SCHEMBL27932960 0.76
Hydrochloric Acid SCHEMBL4632237 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054026-B1 BUTADIENE POLYMERS AND PROCESS FOR PRODUCING CONJUGATED DIENE POLYMERS JP AGENCY OF INDUSTRIALSCIENCE (JP) 2004-12-08 EP 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