⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12221397 | 0.81 | — | — | |
| SCHEMBL12221518 | 0.79 | CA1 (0.32) | — | |
| SCHEMBL21108712 | 0.78 | HCAR2 (0.31) | — | |
| SCHEMBL12221495 | 0.78 | HCAR2 (0.33) | — | |
| SCHEMBL12221530 | 0.75 | HCAR2 (0.39) | — | |
| SCHEMBL17368487 | 0.70 | — | — | |
| SCHEMBL15182956 | 0.69 | — | — | |
| SCHEMBL1106086 | 0.69 | KCNH2 (0.33) | — | |
| SCHEMBL11312690 | 0.69 | — | — | |
| SCHEMBL1204756 | 0.69 | CA1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3344619-A1 | PHENOXYMETHYL DERIVATIVES | H. Hoffnabb-La Roche Ag (CH) | 2018-07-11 | — | — | EP | disclosed |
| WO-2017037146-A1 | PHENOXYMETHYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2017-03-09 | — | — | WO | disclosed |
| EP-2121638-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008076225-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2008-06-26 | — | — | WO | disclosed |