⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6927866 | 1.00 | — | — | |
| SCHEMBL12235355 | 1.00 | — | — | |
| SCHEMBL1116806 | 0.79 | CPA1 (0.45) | — | |
| SCHEMBL11130987 | 0.78 | — | — | |
| SCHEMBL18095943 | 0.78 | — | — | |
| SCHEMBL17151671 | 0.78 | — | — | |
| SCHEMBL19916771 | 0.75 | — | — | |
| SCHEMBL1170344 | 0.75 | — | — | |
| SCHEMBL5467078 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL2128235 | 0.75 | CPA1 (0.44) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-7033758-A | — | — | None | — | — | JP | disclosed |
| EP-3652178-A1 | BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF | H. Hoffnabb-La Roche Ag (CH) | 2020-05-20 | — | — | EP | disclosed |
| WO-2019012063-A1 | BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2019-01-17 | — | — | WO | disclosed |
| US-20130137680-A1 | HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-05-30 | — | — | US | disclosed |
| US-20130137680-A1 | HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-05-30 | — | — | US | disclosed |
| JP-H0733758-A | (S)-2-(T-BUTYLDIMRTHYLSILYOXY)-1-NITROPROPAN AND ITS PRODUCTION | KAO CORP | 1995-02-03 | — | — | JP | disclosed |