⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8670943 | 0.87 | ADRA2A (0.44) | — | |
| SCHEMBL7406982 | 0.83 | — | — | |
| SCHEMBL1018955 | 0.79 | — | — | |
| SCHEMBL8056833 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL7535657 | 0.78 | ADRA2A (0.38) | — | |
| SCHEMBL4724432 | 0.76 | BCHE (0.46) | — | |
| SCHEMBL11370026 | 0.76 | HRH3 (0.42) | — | |
| SCHEMBL3279912 | 0.75 | — | — | |
| SCHEMBL14107750 | 0.75 | ADRA2A (0.36) | — | |
| SCHEMBL1127484 | 0.75 | CYP1A2 (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1296678-A2 | VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY | Bristol-Myers Squibb Pharma Company (US) | 2003-04-02 | — | — | EP | claimed |
| WO-2001098294-A2 | VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-12-27 | — | — | WO | claimed |
| EP-1296678-A2 | VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY | Bristol-Myers Squibb Pharma Company (US) | 2003-04-02 | — | — | EP | disclosed |
| WO-2001098294-A2 | VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-12-27 | — | — | WO | disclosed |
| EP-1140203-A2 | VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS | Du Pont Pharmaceuticals Company (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000035488-A2 | VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-06-22 | — | — | WO | disclosed |