SCHEMBL1990447

SCHEMBL1990447

COC1CCC=CC1=O

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
SCHEMBL9193239 0.78 CA1 (0.30)
SCHEMBL8873944 0.76 ALOX15 (0.35)
SCHEMBL17865057 0.72
SCHEMBL28696338 0.72 MMP3 (0.30)
SCHEMBL10434475 0.71 CYP19A1 (0.34)
SCHEMBL9874197 0.71 PTPN1 (0.32)
SCHEMBL9874195 0.71 PTPN1 (0.32)
SCHEMBL918423 0.70
SCHEMBL20885382 0.70
SCHEMBL12693922 0.70

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
EP-1907394-B1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-29 EP disclosed
US-7759498-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V (BE) 2010-07-20 US disclosed
US-7338973-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-04 US disclosed
US-20060116513-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
US-20060116415-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
US-4250336-A CATALYSTS COMPRISING A MIXTURE OF OXIDES OF GROUP 8 OR 1 METALS AND GROUP 2A, 3B, 4A, OR 4B METALS; VAPOR PHASE HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-10 US disclosed