⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24256390 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL31251564 | 0.72 | — | — | |
| SCHEMBL24256391 | 0.70 | — | — | |
| SCHEMBL18077515 | 0.69 | — | — | |
| SCHEMBL24255877 | 0.69 | — | — | |
| SCHEMBL24491066 | 0.66 | — | — | |
| SCHEMBL2839473 | 0.63 | — | — | |
| SCHEMBL24491033 | 0.63 | FFAR2 (0.46) | — | |
| SCHEMBL24105793 | 0.63 | SCN5A (0.40) | — | |
| SCHEMBL24491065 | 0.62 | SMN1; SMN2 (0.46) | — |
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-0888344-A1 | SPIROCYCLE INTEGRIN INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997033887-A1 | SPIROCYCLE INTEGRIN INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1997-09-18 | — | — | WO | disclosed |