⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL911494 | 0.77 | — | — | |
| SCHEMBL9668755 | 0.75 | — | — | |
| SCHEMBL15662511 | 0.75 | — | — | |
| SCHEMBL29506145 | 0.75 | — | — | |
| SCHEMBL8978431 | 0.75 | CYP3A4 (0.40) | — | |
| SCHEMBL4375290 | 0.75 | — | — | |
| SCHEMBL564546 | 0.75 | — | — | |
| SCHEMBL21831907 | 0.71 | — | — | |
| SCHEMBL22660171 | 0.71 | — | — | |
| SCHEMBL22980311 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024175081-A1 | SHP2 INHIBITOR COMPOUND AND USE THEREOF | 深圳真实生物医药科技有限公司 | 2024-08-29 | — | — | WO | disclosed |
| EP-1089989-A1 | INHIBITORS OF ALPHA4BETA1 MEDIATED CELL ADHESION | PHARMACIA & UPJOHN COMPANY (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-1999067230-A1 | INHIBITORS OF α4β1 MEDIATED CELL ADHESION | PHARMACIA & UPJOHN COMPANY (US) | 1999-12-29 | — | — | WO | disclosed |