⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14067679 | 0.86 | LMNA (0.38) | — | |
| SCHEMBL8511087 | 0.74 | CXCR4 (0.34) | — | |
| SCHEMBL9011262 | 0.71 | TRPV1 (0.49) | — | |
| SCHEMBL475436 | 0.71 | NOTUM (0.30) | — | |
| SCHEMBL4262419 | 0.70 | LMNA (0.42) | — | |
| SCHEMBL13997162 | 0.69 | KMT2A (0.30) | — | |
| SCHEMBL10854188 | 0.68 | KDM4E (0.46) | — | |
| SCHEMBL19625984 | 0.67 | — | — | |
| SCHEMBL14067681 | 0.66 | CYP1A2 (0.30) | — | |
| SCHEMBL8726995 | 0.63 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1853556-A1 | DERIVATIVES OF AMINOBUTANOIC ACID INHIBITING CPT | SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) | 2007-11-14 | — | — | EP | claimed |
| WO-2006092204-A1 | DERIVATIVES OF AMINOBUTANOIC ACID INHIBITING CPT | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2006-09-08 | — | — | WO | claimed |
| US-20100210695-A1 | COMPOSITIONS AND METHODS FOR TREATING SKIN DISORDERS | DARA BIOSCIENCES, INC. (US) | 2010-08-19 | — | — | US | disclosed |
| WO-2009002433-A1 | COMPOSITIONS AND METHODS FOR TREATING SKIN DISORDERS | DARA BIOSCIENCES, INC. (US) | 2008-12-31 | — | — | WO | disclosed |
| US-20080161395-A1 | Derivatives of Aminobutanoic Acid Inhibiting Cpt | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2008-07-03 | — | — | US | disclosed |
| EP-1853556-A1 | DERIVATIVES OF AMINOBUTANOIC ACID INHIBITING CPT | SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) | 2007-11-14 | — | — | EP | disclosed |
| WO-2006092204-A1 | DERIVATIVES OF AMINOBUTANOIC ACID INHIBITING CPT | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2006-09-08 | — | — | WO | disclosed |