⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10891519 | 1.00 | — | — | |
| SCHEMBL17651119 | 0.89 | ALDH1A1 (0.46) | — | |
| SCHEMBL7211307 | 0.85 | ALOX15 (0.42) | — | |
| SCHEMBL7211311 | 0.85 | ALOX15 (0.42) | — | |
| SCHEMBL9408336 | 0.84 | ALDH1A1 (0.38) | — | |
| SCHEMBL10088011 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL9408418 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL9408220 | 0.82 | MAPT (0.36) | — | |
| SCHEMBL27055234 | 0.79 | ALDH1A1 (0.46) | — | |
| SCHEMBL9408389 | 0.77 | HDAC2 (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0569760-B1 | Process for the preparation of 1-cyclopropylbutan-1,3-dione | BASF AG (DE) | 1996-10-30 | — | — | EP | disclosed |
| EP-0569760-A2 | Process for the preparation of 1-cyclopropylbutan-1,3-dione | BASF Aktiengesellschaft (DE) | 1993-11-18 | — | — | EP | disclosed |
| US-4585594-A | CARBONYLATION OF ALLYL ALCOHOL DERIVATIVE | BASF AKTIENGESELLSCHAFT (DE) | 1986-04-29 | — | — | US | disclosed |