⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL634065 | 0.92 | — | — | |
| SCHEMBL12570741 | 0.92 | — | — | |
| SCHEMBL142221 | 0.81 | — | — | |
| SCHEMBL14144399 | 0.81 | — | — | |
| Bromide SCHEMBL28222947 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28534567 | 0.79 | — | — | |
| Formamide SCHEMBL28465071 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL10711052 | 0.68 | — | — | |
| SCHEMBL9667798 | 0.67 | ALDH1A1 (0.35) | — | |
| Dimethylformamide SCHEMBL7349887 | 0.67 | TSHR (0.36) | — |
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-2021115413-A1 | NEUROMUSCULAR-BLOCKING DRUG AND PREPARATION METHOD THEREFOR | 江苏恒瑞医药股份有限公司 | 2021-06-17 | — | — | WO | disclosed |
| WO-2020012357-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | INTEGRAL BIOSCIENCES PVT. LTD. (IN) | 2020-01-16 | — | — | WO | disclosed |