SCHEMBL7701900

SCHEMBL7701900

C=CCCC(C)(C)CC=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32

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
SCHEMBL21523578 0.82 TSHR (0.36) TSHR
SCHEMBL17715736 0.82 ALDH1A1 (0.36) TSHR
SCHEMBL629544 0.81 ALDH1A1 (0.32)
SCHEMBL3374702 0.79 ALDH1A1 (0.33)
SCHEMBL1244564 0.77
SCHEMBL29210930 0.74
Ethylamine SCHEMBL27872574 0.74 TSHR (0.36) TSHR
SCHEMBL3372731 0.74 TDP1 (0.33)
SCHEMBL4983461 0.73 ALOX15 (0.45) TSHR
SCHEMBL6544163 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056716-B1 CYCLOHEXANEDIOLE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-12-11 EP disclosed
US-6184422-B1 TREATMENT AND PREVENTION OF HYPERPROLIFERATIVE SKIN DISEASES; REVERSING CONDITIONS ASSOCIATED WITH PHOTODAMAGE; ANTITUMOR, -CARCINOGENIC AGENTS; PSORIASIS; DISORDERS OF NEOPLASTIC DISEASES; KERATINIZATION/KERATOSIS; ACNE; SEBORRHEA HOFFMAN-LA ROCHE INC. 2001-02-06 US disclosed