⚠ 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 | |
|---|---|---|---|---|
| Butanone SCHEMBL1310 | 0.95 | — | — | |
| Butanone SCHEMBL1039820 | 0.95 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL27495689 | 0.95 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL1510153 | 0.95 | — | — | |
| Butanone SCHEMBL8379087 | 0.95 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL20558041 | 0.91 | — | — | |
| Butanone SCHEMBL20557981 | 0.91 | — | — | |
| Butanone SCHEMBL21631022 | 0.91 | — | — | |
| Butanone SCHEMBL22405658 | 0.91 | — | — | |
| Butanone SCHEMBL5386702 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109415357-A | Condensed heterocyclic compounds or its esters with hydrazone group and salt, garderning pesticide and its application method containing the compound | 日本农药株式会社 | 2019-03-01 | — | — | CN | disclosed |
| CN-104583243-B | Hardening resin composition, water-soluble oil ink composition, ink group and image forming method | 富士胶片株式会社 | 2016-08-24 | — | — | CN | disclosed |
| EP-0705221-A4 | METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS | PROCESS TECHNOLOGIES INC (US) | 1997-01-22 | — | — | EP | disclosed |
| EP-0705221-A1 | METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS | PROCESS TECHNOLOGIES, INCORPORATED (US) | 1996-04-10 | — | — | EP | disclosed |
| WO-1994029221-A1 | METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS | PROCESS TECHNOLOGIES, INC. (US) | 1994-12-22 | — | — | WO | disclosed |