⚠ 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 | |
|---|---|---|---|---|
| Imidazole SCHEMBL28157764 | 0.97 | ALDH1A1 (0.68) | — | |
| Imidazole SCHEMBL28407019 | 0.97 | ALDH1A1 (0.68) | — | |
| Imidazole SCHEMBL28157417 | 0.95 | ALDH1A1 (0.65) | — | |
| Imidazole SCHEMBL9341261 | 0.92 | ALDH1A1 (0.68) | — | |
| Imidazole SCHEMBL9339516 | 0.92 | — | — | |
| Imidazole SCHEMBL16655315 | 0.88 | — | — | |
| Imidazole SCHEMBL8815120 | 0.88 | — | — | |
| Imidazole SCHEMBL504307 | 0.88 | — | — | |
| Imidazole SCHEMBL876245 | 0.88 | ALDH1A1 (0.93) | — | |
| Imidazole SCHEMBL28192741 | 0.88 | ALDH1A1 (0.93) | — |
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-109331874-A | A kind of preparation method of three-dimensional porous carbon coating Co-MOF catalyst material | 上海电力学院 | 2019-02-15 | — | — | CN | disclosed |
| CN-103957712-B | Agrochemical formulations and application thereof | 江苏龙灯化学有限公司 | 2018-01-16 | — | — | CN | disclosed |