⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1044651 | 0.97 | — | — | |
| Iodide SCHEMBL2645959 | 0.93 | — | — | |
| Iodide SCHEMBL2645956 | 0.90 | — | — | |
| SCHEMBL9491675 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL438395 | 0.73 | — | — | |
| SCHEMBL83633 | 0.70 | — | — | |
| SCHEMBL20108318 | 0.69 | — | — | |
| SCHEMBL28189212 | 0.69 | — | — | |
| SCHEMBL10798283 | 0.69 | — | — | |
| SCHEMBL10660867 | 0.69 | ALDH1A1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-218393391-U | Processing apparatus of organic mixed salt of triazine ring | 北京凯正生物工程发展有限责任公司 | 2023-01-31 | — | — | CN | disclosed |
| CN-112694448-B | Process for the preparation of triazine rings | 山东金城柯瑞化学有限公司 | 2022-02-22 | — | — | CN | disclosed |
| CN-112694448-A | Process for the preparation of triazine rings | 山东金城柯瑞化学有限公司 | 2021-04-23 | — | — | CN | disclosed |