⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16294643 | 1.00 | — | — | |
| SCHEMBL4736592 | 0.75 | — | — | |
| SCHEMBL26278 | 0.64 | — | — | |
| SCHEMBL22529636 | 0.64 | — | — | |
| SCHEMBL321501 | 0.60 | — | — | |
| SCHEMBL11269 | 0.60 | — | — | |
| SCHEMBL7191672 | 0.57 | — | — | |
| Ammonia Solution, Strong SCHEMBL4643957 | 0.57 | — | — | |
| SCHEMBL3586938 | 0.57 | — | — | |
| SCHEMBL3586825 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170029395-A1 | SYNTHESIS OF DERIVATIVES OF DICARBAMATES FROM REDUCTION PRODUCTS OF 2-HYDROXYMETHYL-5-FURUFURAL (HMF) | ARCHER DANIELS MIDLAND COMPANY | 2017-02-02 | — | — | US | disclosed |
| US-9487537-B2 | Synthesis of isohexide dicarbamates and derivatives thereof | ARCHER DANIELS MIDLAND CO. (US) | 2016-11-08 | — | — | US | disclosed |
| EP-3008058-A1 | SYNTHESIS OF DICARBAMATES FROM REDUCTION PRODUCTS OF 2-HYDROXYMETHYL-5-FURUFURAL (HMF) AND DERIVATIVES THEREOF | Archer Daniels Midland Company (US) | 2016-04-20 | — | — | EP | disclosed |
| WO-2014200636-A1 | SYNTHESIS OF DICARBAMATES FROM REDUCTION PRODUCTS OF 2-HYDROXYMETHYL-5-FURUFURAL (HMF) AND DERIVATIVES THEREOF | ARCHER DANIELS MIDLAND COMPANY (US) | 2014-12-18 | — | — | WO | disclosed |