⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10547 | 0.96 | — | — | |
| SCHEMBL29291322 | 0.96 | GRM5 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL22189930 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL30260944 | 0.93 | — | — | |
| Bromide SCHEMBL15548530 | 0.93 | — | — | |
| Water SCHEMBL28103775 | 0.93 | — | — | |
| Water SCHEMBL27993523 | 0.93 | GRM5 (0.44) | — | |
| Pyridine SCHEMBL28318077 | 0.80 | TSHR (0.47) | — | |
| SCHEMBL12457573 | 0.72 | CYP2A6 (0.53) | — | |
| SCHEMBL30240834 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106414461-B | Borate-based generated base alkaline agent and alkali reactive composition containing the generated base alkaline agent | 富士胶片和光纯药株式会社 | 2018-09-11 | — | — | CN | disclosed |
| CN-106414461-A | BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR | 和光纯药工业株式会社 | 2017-02-15 | — | — | CN | disclosed |