⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22885439 | 0.95 | INMT (0.36) | — | |
| SCHEMBL272823 | 0.89 | — | — | |
| SCHEMBL22885428 | 0.87 | INMT (0.32) | — | |
| Hydrochloric Acid SCHEMBL9869384 | 0.86 | — | — | |
| SCHEMBL24811636 | 0.84 | CHKA (0.31) | — | |
| Ethyne SCHEMBL9362017 | 0.83 | MAOA (0.37) | — | |
| SCHEMBL10211672 | 0.79 | — | — | |
| Iodide SCHEMBL28973914 | 0.77 | — | — | |
| SCHEMBL10284651 | 0.72 | — | — | |
| SCHEMBL23131989 | 0.72 | — | — |
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-20230192701-A1 | BICYCLIC KINASE INHIBITORS AND USES THEREOF | IOMX THERAPEUTICS AG (DE) | 2023-06-22 | — | — | US | disclosed |
| WO-2021004547-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF HPK1 | GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) | 2021-01-14 | — | — | WO | disclosed |
| EP-1960347-B1 | 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS | STERIX LTD (GB) | 2012-06-20 | — | — | EP | disclosed |
| WO-2007003934-A2 | 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS | STERIX LIMITED (GB) | 2007-01-11 | — | — | WO | disclosed |