⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13953428 | 0.77 | — | — | |
| SCHEMBL7406055 | 0.77 | — | — | |
| SCHEMBL9372467 | 0.72 | — | — | |
| SCHEMBL4484476 | 0.69 | — | — | |
| SCHEMBL10890847 | 0.64 | — | — | |
| SCHEMBL4480895 | 0.64 | — | — | |
| SCHEMBL14657485 | 0.64 | — | — | |
| SCHEMBL355891 | 0.64 | — | — | |
| SCHEMBL10441274 | 0.64 | — | — | |
| SCHEMBL11560167 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0888344-A1 | SPIROCYCLE INTEGRIN INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1999-01-07 | — | — | EP | disclosed |
| US-5760029-A | TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-06-02 | — | — | US | disclosed |
| WO-1997033887-A1 | SPIROCYCLE INTEGRIN INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1997-09-18 | — | — | WO | disclosed |