⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9054406 | 0.76 | — | — | |
| SCHEMBL9056987 | 0.71 | ALDH1A1 (0.47) | — | |
| SCHEMBL9054600 | 0.69 | ALDH1A1 (0.60) | — | |
| Xylazine SCHEMBL15487 | 0.68 | LMNA (1.00) | — | |
| SCHEMBL762220 | 0.67 | — | — | |
| SCHEMBL12890659 | 0.65 | — | — | |
| SCHEMBL5991335 | 0.63 | — | — | |
| SCHEMBL8142930 | 0.63 | — | — | |
| SCHEMBL12217234 | 0.62 | — | — | |
| SCHEMBL13492911 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021102330-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF PAIN | SYNVENTA LLC (US) | 2021-05-27 | — | — | WO | disclosed |
| WO-1996014842-A1 | SUBSTITUTED HETEROCYCLES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | disclosed |