⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5279683 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL5280242 | 0.81 | — | — | |
| SCHEMBL5278482 | 0.78 | — | — | |
| SCHEMBL13012543 | 0.77 | HCAR3 (0.30) | — | |
| SCHEMBL5277217 | 0.77 | HPGD (0.30) | — | |
| SCHEMBL5273252 | 0.75 | SLC9A1 (0.35) | — | |
| SCHEMBL5280913 | 0.74 | SLC9A1 (0.32) | — | |
| SCHEMBL5286379 | 0.72 | SLC9A1 (0.38) | — | |
| SCHEMBL5279159 | 0.70 | — | — | |
| SCHEMBL5275970 | 0.70 | SLC9A1 (0.32) | — |
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-20230127655-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-04-27 | — | — | US | disclosed |
| US-11236108-B2 | Functionalized heterocycles as antiviral agents | ENANTA PHARMACEUTICALS, INC. (US) | 2022-02-01 | — | — | US | disclosed |
| US-20210079014-A1 | FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS | ENANTA PHARMACEUTICALS, INC. | 2021-03-18 | — | — | US | disclosed |
| US-10239867-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-03-26 | — | — | US | disclosed |
| US-10022352-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-07-17 | — | — | US | disclosed |
| US-20180162842-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2018-06-14 | — | — | US | disclosed |
| EP-1859781-A2 | Brightening and/or colouring agent with triazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |