⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12069152 | 0.84 | — | — | |
| SCHEMBL19190503 | 0.78 | — | — | |
| SCHEMBL14087810 | 0.78 | — | — | |
| SCHEMBL20628700 | 0.78 | — | — | |
| SCHEMBL13839056 | 0.78 | CA1 (0.35) | — | |
| SCHEMBL12812301 | 0.75 | LTB4R (0.31) | — | |
| SCHEMBL18925052 | 0.75 | — | — | |
| SCHEMBL22642160 | 0.74 | NOS3 (0.37) | — | |
| SCHEMBL18499942 | 0.74 | LTB4R (0.35) | — | |
| SCHEMBL16769255 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4086249-A2 | 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME | Trevena, Inc. (US) | 2022-11-09 | — | — | EP | disclosed |
| EP-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |
| EP-1877379-B1 | HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 | ASTEX THERAPEUTICS LTD (GB) | 2013-01-16 | — | — | EP | disclosed |
| WO-2011044181-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | SCHERING CORPORATION (US) | 2011-04-14 | — | — | WO | disclosed |
| WO-2011044187-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | SCHERING CORPORATION (US) | 2011-04-14 | — | — | WO | disclosed |