⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18532660 | 0.89 | — | — | |
| SCHEMBL1754099 | 0.84 | SLC6A3 (0.36) | — | |
| SCHEMBL21775958 | 0.83 | SLC6A3 (0.33) | — | |
| SCHEMBL15491904 | 0.80 | PDPK1 (0.30) | — | |
| SCHEMBL16154673 | 0.78 | — | — | |
| SCHEMBL18179469 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL22868188 | 0.77 | — | — | |
| SCHEMBL18760827 | 0.75 | — | — | |
| SCHEMBL24415626 | 0.74 | — | — | |
| SCHEMBL16809690 | 0.73 | PDPK1 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230339971-A1 | BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF | GILEAD SCIENCES, INC. | 2023-10-26 | — | — | US | disclosed |
| EP-3306690-B1 | ORGANIC SEMICONDUCTING COMPOUNDS | RAYNERGY TEK INC (TW) | 2022-09-07 | — | — | EP | disclosed |
| US-20200066998-A1 | ORGANIC SEMICONDUCTING COMPONDS | MERCK PATENT GMBH (DE) | 2020-02-27 | — | — | 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-20180099957-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2018-04-12 | — | — | US | disclosed |