⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8866092 | 0.80 | ALDH1A1 (0.54) | — | |
| SCHEMBL16850633 | 0.78 | — | — | |
| SCHEMBL28226893 | 0.78 | — | — | |
| SCHEMBL746203 | 0.76 | — | — | |
| SCHEMBL26545914 | 0.76 | — | — | |
| SCHEMBL149729 | 0.76 | — | — | |
| SCHEMBL3335551 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL27839398 | 0.74 | — | — | |
| SCHEMBL30256828 | 0.73 | — | — | |
| SCHEMBL27849415 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101489561-A | Application of flumazenil in production of medicament for treating depression | JOSE LEGARDA IBANEZ JUAN (ES) | 2009-07-22 | — | — | CN | disclosed |