⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14968770 | 0.70 | — | — | |
| SCHEMBL1007550 | 0.70 | — | — | |
| SCHEMBL28210342 | 0.67 | — | — | |
| SCHEMBL30141205 | 0.67 | — | — | |
| SCHEMBL28160730 | 0.67 | — | — | |
| SCHEMBL28858422 | 0.66 | — | — | |
| SCHEMBL688972 | 0.65 | — | — | |
| SCHEMBL30589056 | 0.64 | — | — | |
| SCHEMBL1177955 | 0.63 | — | — | |
| SCHEMBL3074614 | 0.59 | — | — |
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 |