⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8742065 | 0.78 | — | — | |
| SCHEMBL6150942 | 0.71 | — | — | |
| Methane SCHEMBL27759073 | 0.71 | — | — | |
| SCHEMBL6872594 | 0.71 | — | — | |
| SCHEMBL4067354 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL27607319 | 0.71 | — | — | |
| Pyrrole SCHEMBL27607284 | 0.64 | — | — | |
| SCHEMBL29035804 | 0.61 | KMT2A (0.36) | — | |
| SCHEMBL6973301 | 0.59 | — | — | |
| SCHEMBL4753908 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | claimed |