⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11061200 | 1.00 | — | — | |
| SCHEMBL11027770 | 0.78 | — | — | |
| SCHEMBL1204457 | 0.77 | — | — | |
| SCHEMBL1204458 | 0.77 | — | — | |
| SCHEMBL11071428 | 0.76 | — | — | |
| SCHEMBL9053847 | 0.75 | — | — | |
| SCHEMBL10831464 | 0.75 | — | — | |
| SCHEMBL9387806 | 0.72 | — | — | |
| SCHEMBL20921229 | 0.72 | — | — | |
| SCHEMBL9315564 | 0.72 | — | — |
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-0055354-B1 | PROCESS FOR THE CONTINUOUS PREPARATION OF 2-ALKYL-BUTEN-1-ALS | BASF Aktiengesellschaft (DE) | 1984-09-12 | — | — | EP | claimed |
| EP-0055354-B1 | PROCESS FOR THE CONTINUOUS PREPARATION OF 2-ALKYL-BUTEN-1-ALS | BASF Aktiengesellschaft (DE) | 1984-09-12 | — | — | EP | disclosed |
| EP-0069210-B1 | PROCESS FOR THE PREPARATION OF ALPHA, BETA-UNSATURATED ALDEHYDES AND 2,7-DIMETHYL-OCTA-2,6-DIENAL | BASF Aktiengesellschaft (DE) | 1984-09-12 | — | — | EP | disclosed |
| US-4467120-A | Preparation of α,β-unsaturated aldehydes and 2,7-dimethyl-octa-2,6-dienal | BASF AKTIENGESELLSCHAFT (DE) | 1984-08-21 | — | — | US | disclosed |
| EP-0069210-A1 | Process for the preparation of alpha, beta-unsaturated aldehydes and 2,7-dimethyl-octa-2,6-dienal | BASF Aktiengesellschaft (DE) | 1983-01-12 | — | — | EP | disclosed |
| EP-0055354-A1 | Process for the continuous preparation of 2-alkyl-buten-1-als | BASF Aktiengesellschaft (DE) | 1982-07-07 | — | — | EP | disclosed |
| EP-0005452-A1 | Acyloxy-2-butenes, their preparation and their use for the preparation of 4-acetoxytiglinaldehyde | BASF Aktiengesellschaft (DE) | 1979-11-28 | — | — | EP | disclosed |