⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7742809 | 0.76 | L3MBTL1 (0.31) | — | |
| SCHEMBL15270422 | 0.69 | SLC29A1 (0.36) | — | |
| SCHEMBL948059 | 0.69 | ACE2 (0.36) | — | |
| SCHEMBL1238549 | 0.69 | GNAI3 (0.41) | — | |
| SCHEMBL6039308 | 0.69 | — | — | |
| SCHEMBL9726431 | 0.68 | ALDH1A1 (0.33) | — | |
| Ethane SCHEMBL4231792 | 0.67 | GNAI3 (0.39) | — | |
| Water SCHEMBL28818080 | 0.67 | GNAI3 (0.39) | — | |
| SCHEMBL21729981 | 0.65 | — | — | |
| SCHEMBL2814300 | 0.65 | — | — |
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 |