⚠ 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 SCHEMBL2819083 | 0.97 | IDO1 (0.57) | — | |
| Bromide SCHEMBL2205642 | 0.97 | TAAR1 (0.56) | — | |
| SCHEMBL8096473 | 0.81 | TAAR1 (0.74) | — | |
| SCHEMBL29459538 | 0.81 | TAAR1 (0.60) | — | |
| SCHEMBL30000562 | 0.81 | TAAR1 (0.60) | — | |
| SCHEMBL1263547 | 0.81 | TAAR1 (0.60) | — | |
| SCHEMBL29596752 | 0.81 | TAAR1 (0.74) | — | |
| SCHEMBL29930754 | 0.79 | — | — | |
| SCHEMBL102633 | 0.79 | — | — | |
| SCHEMBL11903162 | 0.79 | TAAR1 (0.58) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112513188-B | Coelenterazine analogs | 普洛麦格公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-109153646-B | Pyridine dicarboxamide derivatives as bromodomain inhibitors | 葛兰素史克知识产权第二有限公司 | 2022-08-02 | — | — | CN | disclosed |
| CN-108884070-B | Pyridyl derivatives as bromodomain inhibitors | 葛兰素史克知识产权第二有限公司 | 2021-07-02 | — | — | CN | disclosed |
| CN-112513188-A | Coelenterazine analogs | 普洛麦格公司 | 2021-03-16 | — | — | CN | disclosed |
| CN-105008344-A | Bruton's tyrosine kinase inhibitors | PFIZER | 2015-10-28 | — | — | CN | disclosed |
| EP-2748149-A1 | PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2014-07-02 | — | — | EP | disclosed |
| WO-2013027000-A1 | PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |