⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1999394 | 0.80 | MEN1 (0.33) | — | |
| SCHEMBL5200306 | 0.80 | — | — | |
| SCHEMBL3267454 | 0.72 | — | — | |
| SCHEMBL29463282 | 0.70 | — | — | |
| SCHEMBL2755518 | 0.69 | — | — | |
| SCHEMBL13620104 | 0.69 | — | — | |
| SCHEMBL13555422 | 0.69 | — | — | |
| SCHEMBL13555417 | 0.68 | — | — | |
| SCHEMBL499003 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL4145490 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6646020-B2 | Having no flash point or reduced combustibility; closed cell foams | VULCAN CHEMICALS A DIVISION OF VULCAN MATERIALS COMPANY | 2003-11-11 | — | — | US | claimed |