⚠ 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 | |
|---|---|---|---|---|
| Propylene Oxide SCHEMBL28294120 | 0.78 | — | — | |
| SCHEMBL27077 | 0.78 | — | — | |
| Oxirane SCHEMBL10717476 | 0.76 | — | — | |
| SCHEMBL11668513 | 0.74 | — | — | |
| Propylene Oxide SCHEMBL29133221 | 0.73 | — | — | |
| Ethylene SCHEMBL10717356 | 0.72 | — | — | |
| Isopropyl Alcohol SCHEMBL7571922 | 0.72 | — | — | |
| Potassium Ion SCHEMBL28671649 | 0.72 | — | — | |
| Propylene Oxide SCHEMBL2143315 | 0.71 | — | — | |
| Propylene Oxide SCHEMBL870116 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4441969-A | ARYL HYDROXY CARBOXYLIC ACID | OMI INTERNATIONAL CORPORATION (US) | 1984-04-10 | — | — | US | disclosed |