⚠ 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 SCHEMBL9873297 | 0.87 | CHRM2 (0.37) | — | |
| Propylene Oxide SCHEMBL168597 | 0.87 | — | — | |
| Propylene Oxide SCHEMBL9874479 | 0.87 | CHRM2 (0.37) | — | |
| Propylene Oxide SCHEMBL7556563 | 0.87 | CHRM2 (0.37) | — | |
| Propylene Oxide SCHEMBL193535 | 0.87 | — | — | |
| Butyl Alcohol SCHEMBL7581478 | 0.86 | — | — | |
| Propylene Oxide SCHEMBL27797511 | 0.84 | — | — | |
| Propylene Oxide SCHEMBL27848749 | 0.83 | — | — | |
| Cetostearyl Alcohol SCHEMBL4312743 | 0.82 | ALDH1A1 (0.62) | — | |
| Octanol SCHEMBL11879192 | 0.82 | ALDH1A1 (0.62) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5914282-A | FIRST AID | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1999-06-22 | — | — | US | disclosed |
| EP-0140941-A1 | ADHESIVE AND ADHESIVE-COATED SHEET MATERIAL FOR MOIST SKIN | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1985-05-15 | — | — | EP | disclosed |
| WO-1984003837-A1 | ADHESIVE AND ADHESIVE-COATED SHEET MATERIAL FOR MOIST SKIN | MINNESOTA MINING & MFG (US) | 1984-10-11 | — | — | WO | disclosed |
| US-4040992-A | USING N-HYDROXYALKYL QUATERNARY AMMONIUM CARBONYLATE SALTS AS CATALYSTS; POLYURETHANES, POLYISOCYANURATES | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1977-08-09 | — | — | US | disclosed |
| US-3993652-A | Cyclic quaternary hydroxyalkyl phenoxide catalysts for isocyanate reactions | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1976-11-23 | — | — | US | disclosed |