⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4848494 | 1.00 | — | — | |
| SCHEMBL4840218 | 0.89 | — | — | |
| SCHEMBL4840214 | 0.89 | — | — | |
| SCHEMBL14895854 | 0.89 | PKM (0.37) | — | |
| SCHEMBL502217 | 0.89 | — | — | |
| SCHEMBL502218 | 0.89 | — | — | |
| SCHEMBL441843 | 0.89 | — | — | |
| SCHEMBL4801855 | 0.87 | — | — | |
| SCHEMBL4804860 | 0.86 | CYP3A4 (0.45) | — | |
| SCHEMBL4800130 | 0.85 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7375237-B2 | Pyrrolizine compounds useful as anti-inflammatory agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-20 | — | — | US | disclosed |
| US-7342012-B2 | Inhibitors of αLβ2 mediated cell adhesion | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2008-03-11 | — | — | US | disclosed |
| US-20060052434-A1 | Pyrrolizine compounds useful as anti-inflammatory agents | CEREP S.A. (FR) | 2006-03-09 | — | — | US | disclosed |
| US-20050148602-A1 | Inhibitors of alphaLbeta2 mediated cell adhesion | TANABE SEIYAKU CO., LTD. | 2005-07-07 | — | — | US | disclosed |
| US-6897225-B1 | Inhibitors of αLβ2 mediated cell adhesion | TANABE SEIYAKU CO., LTD. (JP) | 2005-05-24 | — | — | US | disclosed |
| EP-1307455-B1 | INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION | TANABE SEIYAKU CO (JP) | 2005-04-06 | — | — | EP | disclosed |