⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6900405 | 0.90 | — | — | |
| SCHEMBL6902191 | 0.88 | — | — | |
| SCHEMBL29675 | 0.79 | — | — | |
| SCHEMBL30340675 | 0.72 | — | — | |
| SCHEMBL3185161 | 0.72 | DNM1 (0.47) | — | |
| SCHEMBL56652 | 0.72 | LMNA (0.50) | — | |
| SCHEMBL38853 | 0.72 | — | — | |
| SCHEMBL22345156 | 0.72 | DNM1 (0.47) | — | |
| SCHEMBL29531465 | 0.72 | DNM1 (0.47) | — | |
| SCHEMBL10013141 | 0.72 | LMNA (0.50) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230242532-A1 | TETRACYCLIC PYRIMIDINONE COMPOUND, PREPARATION METHOD THEREFOR, AND COMPOSITION AND USE THEREOF | NEUSCO BIOTECH LIMITED (CN) | 2023-08-03 | — | — | US | claimed |
| US-4598162-A | Detergent range aldehyde and alcohol mixtures and derivatives, and process therefor | MONSANTO COMPANY (US) | 1986-07-01 | — | — | US | claimed |
| EP-0161251-A1 | DETERGENT RANGE ALDEHYDE AND ALCOHOL MIXTURES AND DERIVATIVES, AND PROCESS THEREFOR | MONSANTO COMPANY (US) | 1985-11-21 | — | — | EP | claimed |
| WO-1985002175-A1 | DETERGENT RANGE ALDEHYDE AND ALCOHOL MIXTURES AND DERIVATIVES, AND PROCESS THEREFOR | MONSANTO COMPANY (US) | 1985-05-23 | — | — | WO | claimed |
| US-20230242532-A1 | TETRACYCLIC PYRIMIDINONE COMPOUND, PREPARATION METHOD THEREFOR, AND COMPOSITION AND USE THEREOF | NEUSCO BIOTECH LIMITED (CN) | 2023-08-03 | — | — | US | disclosed |
| US-6833481-B2 | Catalytic dehydrative isomerization | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2004-12-21 | — | — | US | disclosed |
| US-20030109755-A1 | Process for producing 2-alkyl-2cyclopentenones | TAKASAGO INTERNATIONAL CORPORATION | 2003-06-12 | — | — | US | disclosed |
| EP-1316541-A1 | Process for producing 2-alkyl-2-cyclopentenones | Takasago International Corporation (JP) | 2003-06-04 | — | — | EP | disclosed |