SCHEMBL8333237

SCHEMBL8333237

CCCCCCCCCCCCN[Ti](C1=C(C)C(C)=C(C)C1C)C1=C(C)C(C)=C(C)C1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
GBA1 P04062 3/20 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
SCHEMBL4878646 0.81
Hydrochloric Acid SCHEMBL1644088 0.80
Hydrochloric Acid SCHEMBL6834669 0.78
SCHEMBL822593 0.74 NAAA (0.33) EPHX1ALDH1A1
SCHEMBL7108087 0.73 NAAA (0.35) EPHX1ALDH1A1
Biphenyl SCHEMBL7655380 0.73 SOAT1 (0.32) EPHX1ALDH1A1
SCHEMBL23929263 0.54 TSHR (0.93) EPHX1ALDH1A1TSHR
SCHEMBL23270896 0.54 EPHX1 (0.61) EPHX1ALDH1A1TSHRGBA1
SCHEMBL21165535 0.54 TSHR (0.93) EPHX1ALDH1A1TSHR
SCHEMBL23929270 0.54 TSHR (0.93) EPHX1ALDH1A1TSHR

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-5874512-A HYDROCARBON TACKIFIER RESIN WHICH IS THE POLYMERIZATION REACTION PRODUCT OF AT LEAST ONE ALPHA-OLEFIN, AT LEAST ONE CYCLIC OLEFIN, AND AT LEAST ONE AROMATIC-GROUP-CONTAINING MONOMER FARLEY JAMES MCCLEOD (US) 1999-02-23 US disclosed