⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29355341 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2256353 | 0.97 | PNMT (0.60) | — | |
| Bromide SCHEMBL1301625 | 0.97 | PNMT (0.60) | — | |
| Iodide SCHEMBL2216307 | 0.97 | PNMT (0.60) | — | |
| SCHEMBL8729312 | 0.82 | — | — | |
| SCHEMBL3300276 | 0.81 | PNMT (0.65) | — | |
| SCHEMBL12050856 | 0.81 | TAAR1 (0.74) | — | |
| SCHEMBL195102 | 0.79 | — | — | |
| SCHEMBL30181552 | 0.79 | — | — | |
| Bromide SCHEMBL3216350 | 0.78 | TAAR1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118084800-A | Compounds and uses thereof | 詹森药业有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-118084801-A | Compounds and uses thereof | 詹森药业有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-112312913-B | Compounds and uses thereof | 詹森药业有限公司 | 2024-03-08 | — | — | CN | disclosed |
| CN-114174273-A | Compounds and uses thereof | 优曼尼蒂治疗公司 | 2022-03-11 | — | — | CN | disclosed |
| CN-108884070-B | Pyridyl derivatives as bromodomain inhibitors | 葛兰素史克知识产权第二有限公司 | 2021-07-02 | — | — | CN | disclosed |
| CN-112312913-A | Compounds and uses thereof | 优曼尼蒂治疗公司 | 2021-02-02 | — | — | CN | disclosed |