SCHEMBL4855748

SCHEMBL4855748

CCC1CCC(NNOC(=O)C(F)(F)F)C1

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
SCHEMBL4858067 0.79 GAA (0.32)
SCHEMBL4114063 0.74 PDK1 (0.36)
Trifluoroacetic Acid SCHEMBL4855744 0.74 DPP8 (0.39)
Trifluoroacetic Acid SCHEMBL28847772 0.70 DPP8 (0.36)
SCHEMBL22765546 0.68 SAT1 (0.32)
SCHEMBL12424344 0.68 HSD11B1 (0.40)
SCHEMBL15794940 0.68
SCHEMBL12424261 0.67 DRD3 (0.40)
SCHEMBL2224685 0.67 PRKACA (0.33)
SCHEMBL15655416 0.67 SCN9A (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234020-A1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORP. 2005-10-20 US claimed
EP-1556059-A1 THROMBOPOIETIN MIMETICS Smithkline Beecham (US) 2005-07-27 EP claimed
WO-2003103686-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 WO claimed
US-7414040-B2 Thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION (US) 2008-08-19 US disclosed
US-20050234020-A1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORP. 2005-10-20 US disclosed
EP-1556059-A1 THROMBOPOIETIN MIMETICS Smithkline Beecham (US) 2005-07-27 EP disclosed
WO-2003103686-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 WO disclosed