⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17475545 | 1.00 | — | — | |
| SCHEMBL17475514 | 0.88 | — | — | |
| SCHEMBL17475488 | 0.62 | — | — | |
| SCHEMBL17475501 | 0.61 | ALOX5 (0.36) | — | |
| SCHEMBL5586258 | 0.58 | ALDH1A1 (0.33) | — | |
| SCHEMBL11851498 | 0.58 | CYP1A2 (0.39) | — | |
| SCHEMBL5586169 | 0.56 | MEN1 (0.36) | — | |
| SCHEMBL28142714 | 0.55 | HDAC6 (0.31) | — | |
| SCHEMBL8190650 | 0.55 | MLYCD (0.32) | — | |
| SCHEMBL22183107 | 0.54 | CA2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160031842-A1 | SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF | ARCHER DANIELS MIDLAND CO (US) | 2016-02-04 | — | — | US | claimed |
| US-9487537-B2 | Synthesis of isohexide dicarbamates and derivatives thereof | ARCHER DANIELS MIDLAND CO. (US) | 2016-11-08 | — | — | US | disclosed |
| US-20160031842-A1 | SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF | ARCHER DANIELS MIDLAND CO (US) | 2016-02-04 | — | — | US | disclosed |