⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL15487039 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL2443920 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3128048 | 0.72 | — | — | |
| SCHEMBL693032 | 0.64 | ALDH1A1 (0.68) | — | |
| SCHEMBL24628 | 0.64 | — | — | |
| SCHEMBL6625847 | 0.64 | — | — | |
| SCHEMBL4683898 | 0.63 | — | — | |
| SCHEMBL692147 | 0.62 | — | — | |
| SCHEMBL17597192 | 0.62 | — | — | |
| SCHEMBL3973622 | 0.61 | — | — |
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-3849986-B1 | FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS | ARRAY BIOPHARMA INC (US) | 2022-06-08 | — | — | EP | disclosed |
| EP-2571353-A1 | MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF | AbbVie Inc. (US) | 2013-03-27 | — | — | EP | disclosed |
| WO-2011146089-A1 | MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF | ABBOTT LABORATORIES (US) | 2011-11-24 | — | — | WO | disclosed |
| EP-0353631-A2 | Isoxazolobenzoxazepines, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1990-02-07 | — | — | EP | disclosed |