SCHEMBL8944302

SCHEMBL8944302

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

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
ALDH1A1 P00352 3/20 0.59
TP53 P04637 1/20 0.59

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
SCHEMBL7027256 0.88 TSHR (0.42) TSHRALDH1A1TP53
SCHEMBL23064795 0.83 TSHR (0.39) TSHRALDH1A1TP53
SCHEMBL5616463 0.81 ALDH1A1 (0.67) TSHRALDH1A1TP53
SCHEMBL8731847 0.81 TSHR (0.39) TSHRALDH1A1TP53
SCHEMBL8731849 0.81 TSHR (0.39) TSHRALDH1A1TP53
Propane SCHEMBL28274587 0.81
Bicarbonate SCHEMBL982714 0.80 TSHR (0.50) TSHRALDH1A1TP53
SCHEMBL10531495 0.79 ALDH1A1 (0.62) TSHRALDH1A1TP53
Alcohol SCHEMBL472182 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5554696-A Process for the preparation of industrially applicable difunctional anionic polymerization initiators and their use SHELL OIL COMPANY (US) 1996-09-10 US disclosed
EP-0727461-A1 Blends of poly(ethylene terephthalate) and monovinylarene/conjugated diene block copolymers PHILLIPS PETROLEUM COMPANY (US) 1996-08-21 EP disclosed
US-5536772-A TERPENE TACKIFIER RESIN SHELL OIL COMPANY (US) 1996-07-16 US disclosed
EP-0682041-A1 Process for the preparation of industrially applicable difunctional anionic polymerization initiators and their use SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-11-15 EP disclosed
EP-0327327-B1 Medicated cleansing pads RICHARDSON VICKS INC (US) 1994-06-01 EP disclosed
EP-0327326-B1 MEDICATED CLEANSING PADS Richardson-Vicks, Inc. (US) 1993-06-02 EP disclosed
US-4891227-A Medicated cleansing pads RICHARDSON-VICKS INC. (US) 1990-01-02 US disclosed
US-4891228-A TOPICAL TREATMENT OF ACNE RICHARDSON-VICKS INC. (US) 1990-01-02 US disclosed
EP-0327326-A1 Medicated cleansing pads Richardson-Vicks, Inc. (US) 1989-08-09 EP disclosed
EP-0327327-A2 Medicated cleansing pads Richardson-Vicks, Inc. (US) 1989-08-09 EP disclosed