SCHEMBL4545340

SCHEMBL4545340

CCC(C)(C)C(C)N(C(C)c1c(C)c(C)c(C)c(C)c1C)C(C)c1c(C)c(C)c(C)c(C)c1C

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
SCHEMBL4545338 0.71 TSHR (0.30)
SCHEMBL19492027 0.63 TSHR (0.32)
SCHEMBL13083122 0.60
SCHEMBL24969478 0.60
SCHEMBL20143562 0.60
SCHEMBL844857 0.59
SCHEMBL24042487 0.58 FDPS (0.33)
SCHEMBL23426256 0.56 RIPK1 (0.37)
SCHEMBL21925362 0.56 TSHR (0.40)
SCHEMBL135476 0.56

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-8389006-B2 Pharmaceutical compositions of adsorbates of amorphous drug BEND RESEARCH, INC. (US) 2013-03-05 US disclosed
US-8197848-B2 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors BEND RESEARCH, INC. (US) 2012-06-12 US disclosed
US-8173142-B2 Pharmaceutical compositions of drugs and neutralized acidic polymers BEND RESEARCH, INC. (US) 2012-05-08 US disclosed
US-20090011024-A1 Pharmaceutical compositions of dispersions of amorphous drugs mixed with polymers PFIZER INC. 2009-01-08 US disclosed
US-20080292707-A1 Pharmaceutical Compositions of Adsorbates of Amorphous Drug PFIZER INC 2008-11-27 US disclosed
US-20070282009-A1 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors PFIZER INC 2007-12-06 US disclosed
US-20070148236-A1 Pharmaceutical Compositions of Adsorbates of Amorphous Drug PFIZER PRODUCTS INC. 2007-06-28 US disclosed
US-7235259-B2 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors PFIZER INC (US) 2007-06-26 US disclosed