SCHEMBL7929113

SCHEMBL7929113

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

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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 SCHEMBL714801 0.98
SCHEMBL7930495 0.92
Hydrochloric Acid SCHEMBL713086 0.90 POLB (0.30)
SCHEMBL5086537 0.88
Hydrochloric Acid SCHEMBL713769 0.87
SCHEMBL5553338 0.86
Hydrochloric Acid SCHEMBL2006371 0.85
SCHEMBL7540541 0.81 ALDH1A1 (0.33) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL7931686 0.80
Hydrochloric Acid SCHEMBL714276 0.80 ALDH1A1 (0.32) ALDH1A1CYP3A4TSHRMAPK1TDP1

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-6187889-B1 COPOLYMER OF AN ALPHA-OLEFIN WITH AN ALKENYL AROMATIC HYDROCARBON, HAVING A STRUCTURE AT WHICH TERTIARY CARBON ATOMS ARE MUTUALLY SEPARATED BY TWO METHYLENE GROUPS IN THE BACKBONE OF THE COPOLYMER; STRETCHING, WRAPPING FILMS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-13 US disclosed