⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3336982 | 0.72 | — | — | |
| SCHEMBL1742203 | 0.72 | — | — | |
| SCHEMBL1414438 | 0.72 | — | — | |
| SCHEMBL1414685 | 0.72 | USP30 (0.31) | — | |
| SCHEMBL9830002 | 0.67 | — | — | |
| SCHEMBL82217 | 0.67 | MAOB (0.45) | — | |
| SCHEMBL3018803 | 0.67 | HRH4 (0.30) | — | |
| SCHEMBL934991 | 0.65 | — | — | |
| SCHEMBL1629925 | 0.65 | PHGDH (0.42) | — | |
| SCHEMBL14375270 | 0.65 | MEN1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1383774-B1 | DIHYDROIMIDAZO¬4,5-E INDOLE AND 7H-PYRROLO¬3,2-F QUINOXALINE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS | MERCK PATENT GMBH (DE) | 2008-05-07 | — | — | EP | claimed |
| WO-2021068952-A1 | BENZODIHYDROPYRAN COMPOUND TARGETING ALDO-KETO REDUCTASE 1C3 | 南京明德新药研发有限公司 | 2021-04-15 | — | — | WO | disclosed |
| US-20150266825-A1 | 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF | VICKERS VENTURE FUND VI PTE. LTD. (SG) | 2015-09-24 | — | — | US | disclosed |