⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29485692 | 0.85 | CHRNA7 (0.74) | — | |
| SCHEMBL724866 | 0.85 | CHRNA7 (0.74) | — | |
| SCHEMBL2843094 | 0.81 | CYP2A6 (0.76) | — | |
| SCHEMBL29485677 | 0.81 | CYP2A6 (0.76) | — | |
| SCHEMBL29485675 | 0.81 | TDP1 (0.80) | — | |
| SCHEMBL724788 | 0.81 | TDP1 (0.80) | — | |
| SCHEMBL45429 | 0.81 | — | — | |
| SCHEMBL8658187 | 0.79 | HRH1 (0.81) | — | |
| SCHEMBL29485667 | 0.79 | HRH1 (0.81) | — | |
| SCHEMBL8700016 | 0.79 | CYP1A2 (0.66) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013147286-A1 | ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD, EACH USING THE SAME | FUJIFILM CORPORATION (JP) | 2013-10-03 | — | — | WO | disclosed |
| EP-1957507-A2 | ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS | Isis Pharmaceuticals, Inc. (US) | 2008-08-20 | — | — | EP | disclosed |
| EP-1904442-A1 | HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES | ELI LILLY AND COMPANY (US) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007064954-A2 | ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS | ISIS PHARMACEUTICALS, INC. (US) | 2007-06-07 | — | — | WO | disclosed |
| WO-2007005503-A1 | HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES | ELI LILLY AND COMPANY (US) | 2007-01-11 | — | — | WO | disclosed |