⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13079183 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL19565531 | 0.72 | — | — | |
| SCHEMBL19565528 | 0.72 | — | — | |
| SCHEMBL19565533 | 0.72 | — | — | |
| SCHEMBL19565522 | 0.72 | — | — | |
| SCHEMBL19565534 | 0.72 | — | — | |
| SCHEMBL16640725 | 0.69 | THRB (0.36) | — | |
| SCHEMBL22778841 | 0.67 | — | — | |
| SCHEMBL12712143 | 0.67 | — | — | |
| SCHEMBL12213701 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240025924-A1 | HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2024-01-25 | — | — | US | disclosed |
| US-20230147833-A1 | OPTICALLY PURE OXASPIRO-SUBSTITUTED PYRROLOPYRAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) | 2023-05-11 | — | — | US | disclosed |
| US-20230145793-A1 | SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2023-05-11 | — | — | US | disclosed |
| US-20230128062-A1 | AZABICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2023-04-27 | — | — | US | disclosed |