⚠ 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 SCHEMBL27731080 | 0.97 | ALDH1A1 (0.56) | — | |
| SCHEMBL438395 | 0.77 | — | — | |
| SCHEMBL14119004 | 0.73 | — | — | |
| SCHEMBL11802236 | 0.71 | NOS1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL27464690 | 0.71 | NOS1 (0.43) | — | |
| SCHEMBL926940 | 0.69 | — | — | |
| SCHEMBL28236342 | 0.65 | NOS1 (0.38) | — | |
| SCHEMBL653171 | 0.65 | — | — | |
| SCHEMBL28205684 | 0.65 | — | — | |
| SCHEMBL17164897 | 0.63 | — | — |
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-105968058-B | A kind of 3,5- diaminostilbenes, 2,4- triazole hydrothermal synthesis methods | 宁夏思科达生物科技有限公司 | 2018-06-19 | — | — | CN | disclosed |
| CN-105968058-A | Hydrothermal synthesis method of 3,5-diamino-1,2,4-triazole | 宁夏思科达生物科技有限公司 | 2016-09-28 | — | — | CN | disclosed |