⚠ 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 | |
|---|---|---|---|---|
| Azetidine SCHEMBL27529230 | 1.00 | CXCR4 (0.50) | — | |
| Pyrrolidine SCHEMBL11882125 | 0.91 | — | — | |
| Pyrrolidine SCHEMBL27804270 | 0.91 | ALDH1A1 (0.67) | — | |
| Methylamine SCHEMBL3131654 | 0.87 | ALDH1A1 (0.75) | — | |
| Piperidine SCHEMBL9953296 | 0.87 | — | — | |
| Piperidine SCHEMBL28822666 | 0.83 | — | — | |
| Piperidine SCHEMBL28192599 | 0.83 | ALDH1A1 (0.69) | — | |
| Azetidine SCHEMBL5364501 | 0.82 | — | — | |
| Aziridine SCHEMBL27795549 | 0.82 | — | — | |
| Azetidine SCHEMBL12502 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130196971-A1 | FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2013-08-01 | — | — | US | disclosed |
| EP-2615918-A1 | FATTY ACID SYNTHASE INHIBITORS | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012037298-A1 | FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | WO | disclosed |