⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10483534 | 0.91 | — | — | |
| SCHEMBL11451621 | 0.67 | — | — | |
| SCHEMBL1448212 | 0.67 | — | — | |
| SCHEMBL10919927 | 0.67 | — | — | |
| SCHEMBL11501900 | 0.67 | — | — | |
| SCHEMBL9111802 | 0.63 | — | — | |
| SCHEMBL1448045 | 0.63 | — | — | |
| SCHEMBL9111812 | 0.63 | — | — | |
| SCHEMBL6784924 | 0.62 | SIGMAR1 (0.35) | — | |
| SCHEMBL6147015 | 0.61 | HSD17B10 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1993540-A2 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS | CombinatoRx, Incorporated (US) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007103373-A2 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS | COMBINATORX, INCORPORATED (US) | 2007-09-13 | — | — | WO | disclosed |