⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6982581 | 0.76 | — | — | |
| SCHEMBL9726421 | 0.75 | ECE1 (0.45) | — | |
| SCHEMBL2159350 | 0.74 | — | — | |
| SCHEMBL28715 | 0.74 | — | — | |
| SCHEMBL17373960 | 0.74 | EGLN1 (0.48) | — | |
| SCHEMBL8004720 | 0.72 | ALDH1A1 (0.50) | — | |
| SCHEMBL8004724 | 0.72 | ALDH1A1 (0.50) | — | |
| SCHEMBL8497674 | 0.72 | ALDH1A1 (0.56) | — | |
| SCHEMBL9726453 | 0.72 | PRMT1 (0.48) | — | |
| SCHEMBL292896 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5098900-A | Reducing contractions in smooth muscles | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1992-03-24 | — | — | US | disclosed |
| EP-0186817-B1 | 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1989-08-02 | — | — | EP | disclosed |
| EP-0186817-A1 | 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1986-07-09 | — | — | EP | disclosed |