⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18676279 | 0.76 | — | — | |
| SCHEMBL5569598 | 0.76 | TDP1 (0.42) | — | |
| SCHEMBL18994277 | 0.74 | SMYD3 (0.44) | — | |
| SCHEMBL13326329 | 0.73 | KMT2A (0.30) | — | |
| SCHEMBL24701148 | 0.70 | PRSS1 (0.34) | — | |
| SCHEMBL14484131 | 0.70 | CA12 (0.32) | — | |
| SCHEMBL18994327 | 0.64 | SMYD3 (0.41) | — | |
| SCHEMBL15985021 | 0.64 | EPHX1 (0.38) | — | |
| SCHEMBL13894547 | 0.61 | TDP1 (0.40) | — | |
| SCHEMBL20675994 | 0.58 | TDP1 (0.64) | — |
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-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 |