SCHEMBL8169909

SCHEMBL8169909

CC1=C(C)C(C)(C)C([Ti+](OC(=O)C2CCCCC2)OC(=O)C2CCCCC2)=C1C.C[O-]

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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 SCHEMBL7927317 0.96 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL7928375 0.77
SCHEMBL7927420 0.73 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL7930346 0.73
SCHEMBL7930864 0.71 POLB (0.33) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL7919270 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7930968 0.70 CES2 (0.42) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL7924556 0.70
SCHEMBL7928351 0.69 POLB (0.32) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL7927319 0.69 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1

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
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed