⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21859753 | 0.80 | HPGD (0.46) | — | |
| SCHEMBL29497427 | 0.74 | — | — | |
| SCHEMBL63365 | 0.74 | CHRNB4 (0.49) | — | |
| SCHEMBL129117 | 0.74 | — | — | |
| SCHEMBL29612256 | 0.74 | CHRNB4 (0.49) | — | |
| SCHEMBL9968894 | 0.74 | APLNR (0.44) | — | |
| SCHEMBL30083020 | 0.74 | APLNR (0.44) | — | |
| SCHEMBL31184150 | 0.74 | PSMD14 (0.41) | — | |
| SCHEMBL18320508 | 0.74 | PSMD14 (0.41) | — | |
| SCHEMBL760839 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023125737-A1 | HETEROCYCLIC COMPOUNDS AND USE THEREOF | SILEXON AI TECHNOLOGY CO., LTD. (CN) | 2023-07-06 | — | — | WO | disclosed |
| US-20230135560-A1 | GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF | Crinetics Pharmaceuticals, Inc. | 2023-05-04 | — | — | US | disclosed |
| EP-3271350-B1 | SUBSTITUTED PYRIMIDINYLOXY PYRIDINE DERIVATIVES AS HERBICIDES | FMC CORP (US) | 2022-05-25 | — | — | EP | disclosed |