SCHEMBL8010077

SCHEMBL8010077

C=[Ti](Oc1cc(OC)cc(C(C)(C)C)c1)C1=CC=CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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 SCHEMBL714780 0.99 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7878093 0.86
SCHEMBL8016683 0.84
Hydrochloric Acid SCHEMBL720171 0.84 POLB (0.32)
Hydrochloric Acid SCHEMBL714654 0.83
SCHEMBL4083421 0.83 CA1 (0.32) CA1CA2
Hydrochloric Acid SCHEMBL714526 0.82 CA1 (0.31) CA1CA2
SCHEMBL5616337 0.82 CYP3A4 (0.35)
Hydrochloric Acid SCHEMBL715131 0.81 CYP3A4 (0.35)
Hydrochloric Acid SCHEMBL2383683 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6084048-A SPECIFIED 1-BUTENE-PROPYLENE COPOLYMER WITH NO CRYSTALLINE MELTING PEAK AND NO CRYSTALLIZATION PEAK ACCORDING TO A DIFFERENTIAL SCANNING CALORIMETER MEASUREMENT; BLENDS WITH POLYOLEFINS HAVING FLEXIBILITY, ELONGATION, WEAR RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-04 US disclosed