⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2937440 | 0.97 | TSHR (0.31) | — | |
| SCHEMBL766013 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL29127404 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL17812443 | 0.92 | SOS1 (0.33) | — | |
| SCHEMBL765969 | 0.88 | — | — | |
| SCHEMBL19072213 | 0.86 | SOS1 (0.33) | — | |
| SCHEMBL2262125 | 0.86 | SOS1 (0.33) | — | |
| SCHEMBL22930557 | 0.86 | SOS1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL27540904 | 0.86 | SOS1 (0.33) | — | |
| SCHEMBL17423998 | 0.86 | SOS1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009098257-A1 | COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING AT LEAST ONE CATIONIC DIAMINO-N,N-DIHYDROPYRAZOLONE DERIVATIVE | L'OREAL (FR) | 2009-08-13 | — | — | WO | claimed |
| CN-110914238-B | Compounds as antibiotics | 安塔比奥公司 | 2023-06-20 | — | — | CN | disclosed |
| CN-110914238-A | Compounds as antibiotics | 安塔比奥公司 | 2020-03-24 | — | — | CN | disclosed |
| WO-2009098257-A1 | COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING AT LEAST ONE CATIONIC DIAMINO-N,N-DIHYDROPYRAZOLONE DERIVATIVE | L'OREAL (FR) | 2009-08-13 | — | — | WO | disclosed |