⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31674355 | 0.98 | — | — | |
| SCHEMBL2332955 | 0.93 | — | — | |
| SCHEMBL12753799 | 0.91 | CA1 (0.47) | — | |
| SCHEMBL28283616 | 0.79 | NPC1 (0.41) | — | |
| SCHEMBL4866662 | 0.78 | NPC1 (0.41) | — | |
| SCHEMBL23163117 | 0.76 | KDM4E (0.49) | — | |
| SCHEMBL16151463 | 0.75 | — | — | |
| SCHEMBL15198303 | 0.75 | — | — | |
| SCHEMBL10232349 | 0.75 | — | — | |
| SCHEMBL21006006 | 0.75 | — | — |
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-115745960-A | Quinolinone amide-containing compound, preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2023-03-07 | — | — | CN | disclosed |
| EP-3130586-A1 | PROCESS FOR TREATING HOMOSERINE-BASED COMPOUND | Cj Cheiljedang Corporation (KR) | 2017-02-15 | — | — | EP | disclosed |
| EP-0967265-B1 | Disubstituted cycloalkanones as fragrance materials | TAKASAGO INTERNAT CORP USA (US) | 2005-08-17 | — | — | EP | disclosed |
| US-6548474-B1 | 2-cylopentylidenecyclopentan-1-one, 2-cyclohexylidenecyclohexan-1-one, 2-cyclopentylidenecyclohexan-1-one, 2-cyclohexylidenecyclopentan-1-one and derivatives | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2003-04-15 | — | — | US | disclosed |
| EP-0967265-A2 | Disubstituted cycloalkanones as fragrance materials | Takasago Institute For Interdisciplinary Science Inc. (US) | 1999-12-29 | — | — | EP | disclosed |