⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL62816 | 1.00 | — | — | |
| SCHEMBL8764470 | 1.00 | — | — | |
| SCHEMBL28795098 | 1.00 | — | — | |
| SCHEMBL14856781 | 0.98 | — | — | |
| SCHEMBL27690007 | 0.98 | — | — | |
| SCHEMBL15011399 | 0.96 | — | — | |
| SCHEMBL424088 | 0.96 | — | — | |
| SCHEMBL5188677 | 0.92 | — | — | |
| SCHEMBL5855557 | 0.91 | — | — | |
| SCHEMBL14620456 | 0.91 | NAAA (0.38) | — |
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-2002077052-A2 | ANTI-SQUEAK COATING | HUNTSMAN INTERNATIONAL LLC (US) | 2002-10-03 | — | — | WO | disclosed |