⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7078698 | 0.83 | — | — | |
| SCHEMBL6129143 | 0.83 | — | — | |
| SCHEMBL3185704 | 0.83 | — | — | |
| SCHEMBL11311461 | 0.83 | — | — | |
| SCHEMBL5690940 | 0.83 | — | — | |
| SCHEMBL6907555 | 0.83 | — | — | |
| SCHEMBL19006017 | 0.83 | — | — | |
| SCHEMBL37901 | 0.83 | — | — | |
| SCHEMBL6677284 | 0.82 | — | — | |
| SCHEMBL7070698 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5032624-A | Reaction products of p-vinyl phenol and polyisocyanates | HOECHST CELANESE CORPORATION (US) | 1991-07-16 | — | — | US | disclosed |
| US-4985587-A | Reaction products of p-vinylphenol and polyisocyanates | HOECHST CELANESE CORPORATION, ROUTE 202-206 NORTH, SOMERVILLE, NEW JERSEY 08876, A CORP. OF DE | 1991-01-15 | — | — | US | disclosed |
| EP-0314489-A2 | Reaction products of p-vinylphenol and polyisocyanates | HOECHST CELANESE CORPORATION (US) | 1989-05-03 | — | — | EP | disclosed |