⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8984599 | 1.00 | — | — | |
| SCHEMBL8164734 | 1.00 | — | — | |
| SCHEMBL1246557 | 0.87 | ALDH1A1 (0.57) | — | |
| SCHEMBL1246555 | 0.87 | ALDH1A1 (0.57) | — | |
| SCHEMBL11135300 | 0.85 | ALDH1A1 (0.80) | — | |
| SCHEMBL11135303 | 0.85 | ALDH1A1 (0.80) | — | |
| SCHEMBL15228398 | 0.85 | ALOX15 (0.48) | — | |
| SCHEMBL16444918 | 0.84 | ALOX15 (0.60) | — | |
| SCHEMBL28927498 | 0.82 | ALOX15 (0.57) | — | |
| SCHEMBL9342561 | 0.82 | ALOX15 (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-3962354-A | REDUCTION, OXIDATIVE DECYCLIZATION, ALKYL PHENYL ETHER | GIVAUDAN CORPORATION (US) | 1976-06-08 | — | — | US | claimed |
| 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 |
| US-3962354-A | REDUCTION, OXIDATIVE DECYCLIZATION, ALKYL PHENYL ETHER | GIVAUDAN CORPORATION (US) | 1976-06-08 | — | — | US | disclosed |