⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4968103 | 0.56 | — | — | |
| SCHEMBL2600577 | 0.56 | — | — | |
| SCHEMBL3018 | 0.54 | — | — | |
| Ethylene SCHEMBL10386407 | 0.54 | ALDH1A1 (0.36) | — | |
| SCHEMBL23451793 | 0.50 | — | — | |
| Ethylenediamine SCHEMBL4074999 | 0.50 | NFKB1 (0.40) | — | |
| Ethylenediamine SCHEMBL987032 | 0.50 | NFKB1 (0.40) | — | |
| Ethylenediamine SCHEMBL1690184 | 0.50 | NFKB1 (0.40) | — | |
| SCHEMBL22830239 | 0.50 | — | — | |
| Ethylenediamine SCHEMBL986011 | 0.50 | NFKB1 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8158391-B2 | Production of an α-carboxyl-ω-hydroxy fatty acid using a genetically modified Candida strain | DNA TWOPOINTO, INC. (US) | 2012-04-17 | — | — | US | disclosed |
| US-20100285545-A1 | BIOSYNTHETIC ROUTES TO LONG-CHAIN ALPHA,OMEGA-HYDROXYACIDS, DIACIDS AND THEIR CONVERSION TO OLIGOMERS AND POLYMERS | INC., DNA TWOPOINTO, INC. | 2010-11-11 | — | — | US | disclosed |