⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL761961 | 0.73 | — | — | |
| SCHEMBL23709293 | 0.72 | — | — | |
| SCHEMBL6965627 | 0.71 | — | — | |
| SCHEMBL1228818 | 0.71 | — | — | |
| SCHEMBL19962850 | 0.70 | — | — | |
| SCHEMBL23057501 | 0.69 | — | — | |
| SCHEMBL18031063 | 0.67 | EPHX1 (0.34) | — | |
| SCHEMBL15531851 | 0.67 | — | — | |
| SCHEMBL24492428 | 0.67 | — | — | |
| SCHEMBL19786384 | 0.67 | — | — |
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-20230043970-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC | 2023-02-09 | — | — | US | disclosed |
| US-11208388-B2 | Certain chemical entities, compositions, and methods | NEUPHARMA, INC (US) | 2021-12-28 | — | — | US | disclosed |
| US-20200172495-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2020-06-04 | — | — | US | disclosed |
| US-10544106-B2 | Certain chemical entities, compositions, and methods | NEUPHARMA, INC. (US) | 2020-01-28 | — | — | US | disclosed |
| US-20180072688-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2018-03-15 | — | — | US | disclosed |