⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL742607 | 1.00 | — | — | |
| SCHEMBL9781388 | 0.88 | — | — | |
| SCHEMBL19523376 | 0.73 | TDP1 (0.42) | — | |
| SCHEMBL305072 | 0.73 | — | — | |
| SCHEMBL8109972 | 0.67 | — | — | |
| SCHEMBL2789528 | 0.66 | — | — | |
| Methylene Chloride SCHEMBL28274707 | 0.65 | TDP1 (0.35) | — | |
| Ethylene Glycol SCHEMBL7588413 | 0.63 | TSHR (0.33) | — | |
| Allyl Alcohol SCHEMBL9234665 | 0.63 | TSHR (0.47) | — | |
| SCHEMBL7563785 | 0.62 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2001342186-A | SUBSTITUTED AMINOQUINAZOLINONE (THIONE) DERIVATIVE OR SALTS THEREOF, INTERMEDIATE COMPOUND THEREFOR, PEST- CONTROLLING AGENT AND CONTROLLING METHOD | NIPPON NOHYAKU CO LTD | 2001-12-11 | — | — | JP | disclosed |