SCHEMBL7027256

SCHEMBL7027256

C=C(C)C(=C)C.C=CC(=C)CC

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL93809 0.91
SCHEMBL8944302 0.88 TSHR (0.59) TSHRALDH1A1TP53
SCHEMBL7024222 0.84 TSHR (0.33) TSHRALDH1A1TP53
SCHEMBL7024225 0.84 TSHR (0.33) TSHRALDH1A1TP53
SCHEMBL8731847 0.81 TSHR (0.39) TSHRALDH1A1TP53
SCHEMBL8731849 0.81 TSHR (0.39) TSHRALDH1A1TP53
Bicarbonate SCHEMBL982714 0.80 TSHR (0.50) TSHRALDH1A1TP53
SCHEMBL23064795 0.78 TSHR (0.39) TSHRALDH1A1TP53
Butadiene SCHEMBL9361121 0.74 TSHR (0.33) TSHRALDH1A1TP53
Butadiene SCHEMBL9361114 0.74 TSHR (0.33) TSHRALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733677-B1 Monovinyl aromatic block copolymer compositions for use in rotational moulding KRATON POLYMERS RES BV (NL) 2003-08-06 EP disclosed
EP-0733677-A1 Monovinyl aromatic block copolymer compositions for use in rotational moulding SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1996-09-25 EP disclosed
EP-0646607-A2 Block copolymers of monovinylarenes and conjugated dienes and preparation thereof PHILLIPS PETROLEUM COMPANY (US) 1995-04-05 EP disclosed