⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11565768 | 0.58 | — | — | |
| SCHEMBL335750 | 0.57 | — | — | |
| SCHEMBL789371 | 0.57 | — | — | |
| SCHEMBL4254754 | 0.56 | — | — | |
| Ammonia Solution, Strong SCHEMBL7721602 | 0.55 | — | — | |
| SCHEMBL14509975 | 0.53 | — | — | |
| SCHEMBL19420006 | 0.53 | — | — | |
| SCHEMBL12117541 | 0.53 | — | — | |
| SCHEMBL911293 | 0.53 | — | — | |
| SCHEMBL21477482 | 0.53 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1149207-C | Method for preparing gama-unsaturated beta-lactone and use thereof as aromatic and flavouring ingredient | — | 2004-05-12 | — | — | CN | claimed |
| CN-1360585-A | Process for preparing gamma-unsaturated beta-lactones and their use as perfuming and flavoring ingredients | FIRMENICH & CIE (CH) | 2002-07-24 | — | — | CN | claimed |
| EP-2616473-B1 | MIXTURES CONTAINING PHOSPHOROUS, PROCEDURES FOR THEIR PRODUCTION AND USE | CLARIANT INT LTD (CH) | 2016-11-09 | — | — | EP | disclosed |
| US-20130172457-A1 | Phosphorus-Containing Mixtures, Processes for Preparing Them and Use Thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2013-07-04 | — | — | US | disclosed |
| CN-1149207-C | Method for preparing gama-unsaturated beta-lactone and use thereof as aromatic and flavouring ingredient | — | 2004-05-12 | — | — | CN | disclosed |
| CN-1360585-A | Process for preparing gamma-unsaturated beta-lactones and their use as perfuming and flavoring ingredients | FIRMENICH & CIE (CH) | 2002-07-24 | — | — | CN | disclosed |