⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25049541 | 0.84 | EPHX1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL31346201 | 0.82 | EPHX1 (0.39) | — | |
| SCHEMBL19981600 | 0.81 | EPHX1 (0.36) | — | |
| SCHEMBL21303857 | 0.78 | — | — | |
| SCHEMBL26551810 | 0.78 | — | — | |
| SCHEMBL26042695 | 0.78 | — | — | |
| SCHEMBL19914462 | 0.76 | — | — | |
| SCHEMBL24241005 | 0.76 | — | — | |
| SCHEMBL19914457 | 0.74 | — | — | |
| SCHEMBL25734655 | 0.74 | — | — |
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-20230339970-A1 | CASEIN KINASE 1 DELTA MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2023-10-26 | — | — | US | disclosed |
| EP-4169904-A1 | SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS | Yukin Therapeutics (FR) | 2023-04-26 | — | — | EP | disclosed |
| EP-3950685-A1 | PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF | Guangzhou Baiyunshan Pharmaceutical Holdings Co., Ltd. Baiyunshan Pharmaceutical General Factory (CN) | 2022-02-09 | — | — | EP | disclosed |
| WO-2018093694-A1 | DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |