⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19413056 | 0.81 | — | — | |
| SCHEMBL18743249 | 0.79 | — | — | |
| SCHEMBL21784455 | 0.76 | — | — | |
| SCHEMBL18519222 | 0.71 | — | — | |
| SCHEMBL22332498 | 0.71 | — | — | |
| SCHEMBL23891272 | 0.70 | — | — | |
| SCHEMBL20113204 | 0.68 | — | — | |
| SCHEMBL23502444 | 0.67 | — | — | |
| SCHEMBL22296116 | 0.66 | — | — | |
| SCHEMBL13928991 | 0.66 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230069174-A1 | NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF | SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) | 2023-03-02 | — | — | US | disclosed |
| EP-3179992-B1 | THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PD-1 INHIBITOR AND/OR A PD-L1 INHIBITOR | ACERTA PHARMA BV (NL) | 2022-05-11 | — | — | EP | disclosed |
| EP-3179991-B1 | THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR AND A BCL-2 INHIBITOR | ACERTA PHARMA BV (NL) | 2021-10-06 | — | — | EP | disclosed |
| US-10689391-B2 | Isoxazole analogs as FXR agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2020-06-23 | — | — | US | disclosed |
| US-10450306-B2 | Isoxazole analogs as FXR agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2019-10-22 | — | — | US | disclosed |
| US-20190194216-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2019-06-27 | — | — | US | disclosed |
| US-20180099957-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2018-04-12 | — | — | US | disclosed |