⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11628289 | 0.96 | — | — | |
| SCHEMBL28875053 | 0.96 | — | — | |
| SCHEMBL28866580 | 0.96 | — | — | |
| SCHEMBL1330344 | 0.95 | — | — | |
| SCHEMBL9866292 | 0.95 | — | — | |
| SCHEMBL1331977 | 0.95 | — | — | |
| SCHEMBL5305593 | 0.95 | ALDH1A1 (1.00) | — | |
| SCHEMBL523 | 0.95 | — | — | |
| SCHEMBL1331774 | 0.95 | — | — | |
| SCHEMBL28215744 | 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 |
|---|---|---|---|---|---|---|---|
| CN-103403931-A | Carbon-deposited alkali metal phosphosilicate cathode material and process for preparing same including two dry high-energy milling steps | CLARIANT CANADA INC | 2013-11-20 | — | — | CN | disclosed |
| EP-0040414-B1 | PROCESS FOR PRODUCING ACETALDEHYDE | KURARAY CO., LTD. (JP) | 1983-06-08 | — | — | EP | disclosed |
| US-4351964-A | Process for producing acetaldehyde | KURARAY CO., LTD. (JP) | 1982-09-28 | — | — | US | disclosed |
| EP-0040414-A2 | Process for producing acetaldehyde | KURARAY CO., LTD. (JP) | 1981-11-25 | — | — | EP | disclosed |