SCHEMBL7919241

SCHEMBL7919241

C[O-].C[O-].O=C(O[Ti+2]C1CCCC2=C1CC1=C2CCCC1)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CHRM3 P20309 4/20 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 SCHEMBL7930546 0.96 KCNN4 (0.35) KCNN4ALDH1A1
SCHEMBL7927639 0.84 LMNA (0.34) ALDH1A1CHRM3
SCHEMBL7930769 0.84
SCHEMBL7927359 0.82 KCNN4 (0.35) KCNN4ALDH1A1
SCHEMBL7919238 0.80 KCNN4 (0.42) KCNN4ALDH1A1CHRM3
SCHEMBL7919189 0.80
SCHEMBL7924942 0.80 KCNN4 (0.35) KCNN4ALDH1A1
Hydrochloric Acid SCHEMBL7919305 0.79 LMNA (0.36) ALDH1A1CHRM3
Hydrochloric Acid SCHEMBL7930903 0.78 KCNN4 (0.36) KCNN4ALDH1A1
SCHEMBL7924672 0.76 KCNN4 (0.36) KCNN4ALDH1A1

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-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed