⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4638957 | 1.00 | — | — | |
| SCHEMBL4638944 | 0.82 | ITGAL (0.33) | — | |
| SCHEMBL4913351 | 0.82 | ITGAL (0.33) | — | |
| SCHEMBL4801893 | 0.82 | TRPV4 (0.33) | — | |
| SCHEMBL4797574 | 0.74 | TRPV4 (0.31) | — | |
| SCHEMBL4915815 | 0.74 | ITGAL (0.37) | — | |
| SCHEMBL4912803 | 0.74 | ITGAL (0.37) | — | |
| SCHEMBL4638100 | 0.70 | MEN1 (0.30) | — | |
| SCHEMBL4638268 | 0.70 | MEN1 (0.30) | — | |
| SCHEMBL4637829 | 0.70 | ITGAL (0.38) | — |
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-20080262070-A1 | Pharmaceutically Active Tetrahydro-Pyrrolizinone Compounds | BAUMANN KARL | 2008-10-23 | — | — | US | disclosed |
| EP-1937685-A1 | TETRAHYDRO-PYRROLIZINONE COMPOUNDS AS LFA-I MEDIATORS | Novartis AG (CH) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007039286-A1 | TETRAHYDRO-PYRROLIZINONE COMPOUNDS AS LFA-I MEDIATORS | NOVARTIS AG (CH) | 2007-04-12 | — | — | WO | disclosed |