⚠ 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 | |
|---|---|---|---|---|
| Pyrazole SCHEMBL26122185 | 0.98 | — | — | |
| Pyrazole SCHEMBL9012286 | 0.90 | — | — | |
| Pyrazole SCHEMBL27553902 | 0.88 | — | — | |
| Pyrazole SCHEMBL27617303 | 0.87 | NQO2 (0.33) | — | |
| Pyrazole SCHEMBL28095827 | 0.86 | — | — | |
| Pyrazole SCHEMBL27984995 | 0.84 | — | — | |
| Pyrazole SCHEMBL18227431 | 0.82 | — | — | |
| Pyrazole SCHEMBL27388414 | 0.82 | — | — | |
| Pyrazole SCHEMBL4051311 | 0.82 | — | — | |
| Pyrazole SCHEMBL27504584 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116891459-A | Synthesis method of polysubstituted triazinane compound | 湖北九康通生物医药有限公司 | 2023-10-17 | — | — | CN | disclosed |
| WO-2023193818-A1 | METHOD FOR SYNTHESIZING POLYSUBSTITUTED TRIAZINE COMPOUND | 湖北九康通生物医药有限公司 | 2023-10-12 | — | — | WO | disclosed |
| WO-2023169572-A1 | TRIAZINE COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF | 湖北九康通生物医药有限公司 | 2023-09-14 | — | — | WO | disclosed |
| CN-116730988-A | Triazine compound, intermediate thereof, preparation method and application thereof | 湖北九康通生物医药有限公司 | 2023-09-12 | — | — | CN | disclosed |