SCHEMBL9806984

SCHEMBL9806984

CCC(C#CO)CBr

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL2483605 0.74
SCHEMBL3792842 0.69
SCHEMBL2209081 0.69 LMNA (0.38)
SCHEMBL12237923 0.67
SCHEMBL21638818 0.66 ALDH1A1 (0.31)
SCHEMBL28814076 0.61
SCHEMBL21822089 0.60 LMNA (0.44)
SCHEMBL22325620 0.60 LMNA (0.44)
SCHEMBL720248 0.59
SCHEMBL27704143 0.58

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-4557934-A ALONG WITH A DIOL PYRROLIDONE OR AN AZACYCLOPENTAN-2-ONE THE PROCTER & GAMBLE COMPANY (US) 1985-12-10 US claimed
EP-0129285-B1 PENETRATING TOPICAL PHARMACEUTICAL COMPOSITIONS CONTAINING N-(2-HYDROXYETHYL)PYRROLIDONE THE PROCTER & GAMBLE COMPANY (US) 1991-05-15 EP disclosed
US-4557934-A ALONG WITH A DIOL PYRROLIDONE OR AN AZACYCLOPENTAN-2-ONE THE PROCTER & GAMBLE COMPANY (US) 1985-12-10 US disclosed
US-4537776-A PERCUTANEOUS DELIVERY OF ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1985-08-27 US disclosed
EP-0129285-A2 Penetrating topical pharmaceutical compositions containing N-(2-hydroxyethyl)pyrrolidone THE PROCTER & GAMBLE COMPANY (US) 1984-12-27 EP disclosed
EP-0129284-A2 Improved penetrating topical pharmaceutical compositions containing 1-dodecyl-azacycloheptan-2-one THE PROCTER &amp; GAMBLE COMPANY (US) 1984-12-27 EP disclosed