⚠ 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 | |
|---|---|---|---|---|
| Pimagedine SCHEMBL7763659 | 0.88 | ALDH1A1 (0.43) | — | |
| Pimagedine SCHEMBL15307 | 0.88 | — | — | |
| Pimagedine SCHEMBL27366958 | 0.88 | ALDH1A1 (0.43) | — | |
| Pimagedine SCHEMBL27731077 | 0.86 | ALDH1A1 (0.67) | — | |
| Pimagedine SCHEMBL23779762 | 0.84 | — | — | |
| Pimagedine SCHEMBL3818920 | 0.84 | — | — | |
| Pimagedine SCHEMBL8446446 | 0.84 | — | — | |
| Pimagedine SCHEMBL10340639 | 0.84 | ALDH1A1 (0.40) | — | |
| Pimagedine SCHEMBL4879214 | 0.84 | — | — | |
| Pimagedine SCHEMBL9716859 | 0.84 | — | — |
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-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 |