⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8773575 | 1.00 | — | — | |
| SCHEMBL11183068 | 0.96 | — | — | |
| SCHEMBL36991 | 0.96 | — | — | |
| SCHEMBL6065835 | 0.96 | — | — | |
| SCHEMBL22129636 | 0.96 | — | — | |
| SCHEMBL4967707 | 0.96 | — | — | |
| SCHEMBL31207300 | 0.92 | — | — | |
| SCHEMBL31207303 | 0.92 | — | — | |
| Potassium SCHEMBL31207301 | 0.92 | — | — | |
| SCHEMBL31273742 | 0.92 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0152027-B1 | PROCESS FOR THE PREPARATION OF 3-METHYL-2-BUTEN-4-OLIDE(4-METHYL-2-(5H)-FURAN-2-ONE) | Studiengesellschaft Kohle mbH (DE) | 1990-04-11 | — | — | EP | disclosed |
| US-4659843-A | Process for preparing 3-methyl-2-butene-4-olide (4-methyl-2(5H)-furane-2-one) | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 1987-04-21 | — | — | US | disclosed |
| EP-0152027-A2 | Process for the preparation of 3-methyl-2-buten-4-olide(4-methyl-2-(5H)-furan-2-one) | Studiengesellschaft Kohle mbH (DE) | 1985-08-21 | — | — | EP | disclosed |
| US-4098807-A | PLATINUM AND PALLADIUM COMPLEXES | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1978-07-04 | — | — | US | disclosed |