⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16653931 | 1.00 | — | — | |
| SCHEMBL16653982 | 1.00 | — | — | |
| SCHEMBL17930128 | 0.88 | PRSS1 (0.31) | — | |
| SCHEMBL28695106 | 0.74 | — | — | |
| SCHEMBL2399459 | 0.73 | — | — | |
| SCHEMBL18083753 | 0.71 | — | — | |
| SCHEMBL1823854 | 0.69 | — | — | |
| SCHEMBL8775283 | 0.69 | — | — | |
| SCHEMBL6665996 | 0.67 | — | — | |
| SCHEMBL1961412 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3057946-A2 | SYNTHESIS OF DIACIDS, DIALDEHYDES, OR DIAMINES FROM THF-DIOLS | Archer Daniels Midland Co. (US) | 2016-08-24 | — | — | EP | claimed |
| US-20160207894-A1 | Synthesis of Diacids, Dialdehydes, or Diamines from THF-Diols | ARCHER DANIELS MIDLAND CO (US) | 2016-07-21 | — | — | US | claimed |
| WO-2015057365-A2 | SYNTHESIS OF DIACIDS, DIALDEHYDES, OR DIAMINES FROM THF-DIOLS | ARCHER DANIELS MIDLAND COMPANY (US) | 2015-04-23 | — | — | WO | claimed |