⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19995789 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8041156 | 0.65 | CETP (0.43) | — | |
| SCHEMBL6370988 | 0.61 | — | — | |
| SCHEMBL354646 | 0.61 | — | — | |
| SCHEMBL4445919 | 0.61 | — | — | |
| SCHEMBL9440433 | 0.59 | — | — | |
| Water SCHEMBL29080023 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL9308558 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL579057 | 0.59 | — | — | |
| SCHEMBL143378 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3086662-A1 | ORGANIC COMPOUNDS | Givaudan S.A. (CH) | 2016-11-02 | — | — | EP | claimed |
| WO-2015082645-A1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2015-06-11 | — | — | WO | claimed |
| EP-1159255-A2 | BIS(1,3-DIHYDROXY-PROP-2-YL)AMINE AND DERIVATIVES THEREOF IN THE MANUFACTURE OF POLYMERS | ISIS INNOVATION LIMITED (GB) | 2001-12-05 | — | — | EP | claimed |
| WO-2000055111-A2 | BIS(1,3-DIHYDROXY-PROP-2-YL)AMINE AND DERIVATIVES THEREOF IN THE MANUFACTURE OF POLYMERS | ISIS INNOVATION LIMITED (GB) | 2000-09-21 | — | — | WO | claimed |