⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1256267 | 0.73 | — | — | |
| SCHEMBL29738628 | 0.70 | — | — | |
| SCHEMBL12201063 | 0.68 | — | — | |
| SCHEMBL1433859 | 0.65 | — | — | |
| SCHEMBL469479 | 0.59 | MAOA (0.30) | — | |
| SCHEMBL4245299 | 0.59 | HSP90AA1 (0.35) | — | |
| SCHEMBL8144801 | 0.58 | — | — | |
| SCHEMBL20912918 | 0.57 | — | — | |
| SCHEMBL12847209 | 0.57 | — | — | |
| SCHEMBL18173492 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009123969-A2 | DEOXYBENZOIN-DERIVED ANTI-FLAMMABLE POLYMERS | UNIVERSITY OF MASSACHUSETTS (US) | 2009-10-08 | — | — | WO | disclosed |