⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18612860 | 1.00 | — | — | |
| SCHEMBL370042 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL636958 | 0.81 | — | — | |
| SCHEMBL289173 | 0.80 | — | — | |
| SCHEMBL638285 | 0.75 | — | — | |
| SCHEMBL289004 | 0.73 | ALDH1A1 (0.48) | — | |
| Iodide SCHEMBL3305841 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL1899561 | 0.73 | ALDH1A1 (0.48) | — | |
| SCHEMBL3432132 | 0.72 | ALDH1A1 (0.47) | — | |
| SCHEMBL36958 | 0.72 | — | — |
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-8119364-B2 | Methods for generating analogs of coenzyme A | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-02-21 | — | — | US | disclosed |
| US-20100304430-A1 | Methods for Generating Analogs of Coenzyme A | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-12-02 | — | — | US | disclosed |
| US-7727738-B2 | Methods for generating analogs of coenzyme A | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-06-01 | — | — | US | disclosed |
| US-20070128683-A1 | Metabolic delivery of coenzyme A analogs | NATIONAL SCIENCE FOUNDATION | 2007-06-07 | — | — | US | disclosed |