⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11852700 | 0.73 | — | — | |
| SCHEMBL1636274 | 0.69 | MEN1 (0.32) | — | |
| SCHEMBL3104437 | 0.69 | — | — | |
| SCHEMBL6058726 | 0.69 | — | — | |
| SCHEMBL6058725 | 0.69 | — | — | |
| SCHEMBL1420447 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL11781985 | 0.67 | — | — | |
| Bromide SCHEMBL31164802 | 0.65 | GABRR1 (0.38) | — | |
| SCHEMBL2641504 | 0.65 | — | — | |
| SCHEMBL4201275 | 0.63 | — | — |
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 |