⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21557607 | 0.81 | — | — | |
| Water SCHEMBL26127007 | 0.80 | — | — | |
| SCHEMBL73307 | 0.78 | — | — | |
| SCHEMBL10639389 | 0.76 | CYP2A6 (0.40) | — | |
| SCHEMBL3857558 | 0.75 | — | — | |
| Acetonitrile SCHEMBL28052045 | 0.73 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL28456441 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL8953869 | 0.72 | — | — | |
| SCHEMBL5608116 | 0.72 | — | — | |
| SCHEMBL15310039 | 0.72 | TSHR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4186900-A1 | CODRUG THAT DISINTEGRATES IN INTESTINE, PREPARATION THEREFOR, AND USE THEREOF | Ennovabio (Zhejiang) Pharmaceuticals Co., Ltd. (CN) | 2023-05-31 | — | — | EP | disclosed |