⚠ 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 | |
|---|---|---|---|---|
| Malonaldehyde SCHEMBL1492514 | 1.00 | — | — | |
| Malonaldehyde SCHEMBL7048796 | 0.95 | — | — | |
| Malonaldehyde SCHEMBL10949336 | 0.94 | ALDH1A1 (0.42) | — | |
| Malonaldehyde SCHEMBL16287 | 0.94 | — | — | |
| Malonaldehyde SCHEMBL9754363 | 0.89 | — | — | |
| Malonaldehyde SCHEMBL2429722 | 0.89 | — | — | |
| Malonaldehyde SCHEMBL8182493 | 0.89 | — | — | |
| Malonaldehyde SCHEMBL3334683 | 0.89 | — | — | |
| Malonaldehyde SCHEMBL7515120 | 0.89 | — | — | |
| Malonaldehyde SCHEMBL825464 | 0.89 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11174249-B2 | Cooling composition | FIRMENICH SA (CH) | 2021-11-16 | — | — | US | disclosed |
| EP-3652171-B1 | COOLING COMPOSITIONS CONTAINING AN AMIDE AND AN ALKYL LACTATE | FIRMENICH & CIE (CH) | 2021-09-08 | — | — | EP | disclosed |
| US-20200157083-A1 | COOLING COMPOSITION | FIRMENICH SA (CH) | 2020-05-21 | — | — | US | disclosed |
| EP-3652171-A1 | COOLING COMPOSITION | Firmenich SA (CH) | 2020-05-20 | — | — | EP | disclosed |
| WO-2019012071-A1 | COOLING COMPOSITION | FIRMENICH SA (CH) | 2019-01-17 | — | — | WO | disclosed |
| US-8124813-B2 | Method of producing 2-phenoxyacetals and the corresponding 2-phenoxy-carbaldehydes therefrom | SALTIGO GMBH (DE) | 2012-02-28 | — | — | US | disclosed |
| US-20100286449-A1 | METHOD OF PRODUCING 2-PHENOXYACETALS AND THE CORRESPONDING 2-PHENOXY-CARBALDEHYDES THEREFROM | SALTIGO GMBH (DE) | 2010-11-11 | — | — | US | disclosed |
| EP-0430114-A2 | Hexahydro-1H-quino[4,3,2-ef][1,4]benzoxazepines and related compounds, a process and intermediates for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-06-05 | — | — | EP | disclosed |