⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25135488 | 0.91 | — | — | |
| SCHEMBL12793099 | 0.85 | — | — | |
| SCHEMBL10665318 | 0.80 | GRIK1 (0.32) | — | |
| SCHEMBL9794525 | 0.76 | — | — | |
| SCHEMBL2163231 | 0.76 | — | — | |
| SCHEMBL2554112 | 0.75 | — | — | |
| Ethylene SCHEMBL10526617 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL26726057 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL270455 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL9261152 | 0.72 | ALDH1A1 (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0191935-B1 | PROCESS FOR THE PRODUCTION OF 2-ALKYL-1,4-BUTANE DIAL | Degussa Aktiengesellschaft (DE) | 1988-10-05 | — | — | EP | claimed |
| US-4675451-A | Process for the preparation of 2-alkyl-1,4-butanedial | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1987-06-23 | — | — | US | claimed |
| WO-2005035497-A1 | CASPASE INHIBITOR COMPRISING 2-ALKYL-4-OXOBUTANOYL GROUP AND PHARMACEUTICAL COMPOSITION THEREOF | LG LIFE SCIENCES LTD. (KR) | 2005-04-21 | — | — | WO | disclosed |
| US-5739371-A | LOWER IRRITATION; BETTER FOAMING PROPERTIES | LAMBENT TECHNOLOGIES INC. (US) | 1998-04-14 | — | — | US | disclosed |
| US-4675451-A | Process for the preparation of 2-alkyl-1,4-butanedial | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1987-06-23 | — | — | US | disclosed |
| US-4675451-A | Process for the preparation of 2-alkyl-1,4-butanedial | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1987-06-23 | — | — | US | disclosed |
| US-4675451-A | Process for the preparation of 2-alkyl-1,4-butanedial | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1987-06-23 | — | — | US | disclosed |