⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16058946 | 0.75 | — | — | |
| SCHEMBL23009324 | 0.73 | — | — | |
| SCHEMBL4078350 | 0.73 | EPHX1 (0.32) | — | |
| SCHEMBL4611943 | 0.71 | — | — | |
| SCHEMBL22020336 | 0.71 | — | — | |
| SCHEMBL1793810 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL11379790 | 0.71 | — | — | |
| SCHEMBL2896147 | 0.69 | MEN1 (0.47) | — | |
| SCHEMBL727427 | 0.69 | — | — | |
| SCHEMBL5881899 | 0.69 | APEX1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113603627-A | Synthesis method of pyrrolidone spiro propane compound | 江西省科学院应用化学研究所 | 2021-11-05 | — | — | CN | claimed |
| CN-114533733-A | Isoquinoline-1, 3-diamine analogue pharmaceutical preparation and preparation method thereof | 北京鑫开元医药科技有限公司 | 2022-05-27 | — | — | CN | disclosed |
| CN-113999206-B | Isoquinoline-1, 3-diamine analogue, preparation method, pharmaceutical composition and application thereof | 北京鑫开元医药科技有限公司 | 2022-04-12 | — | — | CN | disclosed |
| CN-113999206-A | Isoquinoline-1, 3-diamine analogue, preparation method, pharmaceutical composition and application thereof | 北京鑫开元医药科技有限公司 | 2022-02-01 | — | — | CN | disclosed |
| CN-113603627-A | Synthesis method of pyrrolidone spiro propane compound | 江西省科学院应用化学研究所 | 2021-11-05 | — | — | CN | disclosed |