SCHEMBL5986897

SCHEMBL5986897

[CH2]CCC(C)CCC([CH2])C

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
SCHEMBL221838 0.84
SCHEMBL1483796 0.83 LMNA (0.38)
SCHEMBL29676 0.81
SCHEMBL11238093 0.79 LMNA (0.30)
SCHEMBL603698 0.79 LMNA (0.43)
SCHEMBL103113 0.79 LMNA (0.43)
SCHEMBL5661656 0.79
SCHEMBL83492 0.77
SCHEMBL17607771 0.77 TSHR (0.46)
SCHEMBL93158 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7018993-B2 Antiandrogenic agent CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-03-28 US disclosed
US-20030158164-A1 Novel antiandrogenic agent CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-21 US disclosed
EP-1304334-A1 NOVEL ANTIANDROGENIC AGENT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-23 EP disclosed
EP-1219631-A1 ANTIANDROGEN AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 EP disclosed
US-6410523-B1 BONE DEFECTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-06-25 US disclosed
US-20020045772-A1 Vitamin D derivative having substituent at 2beta-position CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-04-18 US disclosed
EP-1070704-A1 VITAMIN D DERIVATIVES SUBSTITUTED AT THE 2$g(b)-POSITION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-01-24 EP disclosed
EP-0207889-B1 PROCESS FOR THE PREPARATION OF METALLOCENE COMPLEXES CIBA-GEIGY AG (CH) 1988-07-20 EP disclosed