SCHEMBL5048665

SCHEMBL5048665

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

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.77
TSHR P16473 2/20 0.77
TP53 P04637 1/20 0.77

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
SCHEMBL8610971 0.92
Propene SCHEMBL1931443 0.88
SCHEMBL1331930 0.88
SCHEMBL20661241 0.88 ALDH1A1 (1.00) ALDH1A1TSHRTP53
SCHEMBL322832 0.88 ALDH1A1 (1.00) ALDH1A1TSHRTP53
SCHEMBL14855 0.88
SCHEMBL28133042 0.85
Propene SCHEMBL8156493 0.85 ALDH1A1 (0.77) ALDH1A1TSHRTP53
SCHEMBL4421781 0.84 ALDH1A1 (0.91) ALDH1A1TSHRTP53
SCHEMBL3163980 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452941-B2 Terpene resin and hydrocarbon resin-based surfactants and aqueous dispersion of tackifier resins ARIZONA CHEMICAL COMPANY (US) 2008-11-18 US claimed
US-7157533-B2 Process of obtaining an isoprene-enriched FCC C5 fraction and selective polymerization of isoprene from said fraction MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2007-01-02 US claimed
US-20060020095-A1 Process of obtaining an isoprene-enriched FCC C5 fraction and selective polymerization of isoprene from said fraction MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2006-01-26 US claimed
US-7157533-B2 Process of obtaining an isoprene-enriched FCC C5 fraction and selective polymerization of isoprene from said fraction MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2007-01-02 US disclosed
US-20060020095-A1 Process of obtaining an isoprene-enriched FCC C5 fraction and selective polymerization of isoprene from said fraction MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2006-01-26 US disclosed
US-4067924-A Dehydrogenation process PETRO-TEX CHEMICAL CORPORATION (US) 1978-01-10 US disclosed