⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25414445 | 0.81 | CASP6 (0.30) | — | |
| SCHEMBL174015 | 0.73 | — | — | |
| SCHEMBL7048152 | 0.68 | — | — | |
| SCHEMBL28100308 | 0.65 | CASP6 (0.30) | — | |
| SCHEMBL30932236 | 0.61 | — | — | |
| SCHEMBL7933068 | 0.58 | POLB (0.32) | — | |
| SCHEMBL5581456 | 0.56 | — | — | |
| SCHEMBL31693446 | 0.56 | — | — | |
| SCHEMBL635693 | 0.55 | ALDH1A1 (0.48) | — | |
| SCHEMBL31268406 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014152737-A1 | SELECTIVE MODIFICATION OF ORGANIC COMPOUNDS IN THE PRESENCE OF AMINES AND/OR SULFIDES | HEPATOCHEM (US) | 2014-09-25 | — | — | WO | claimed |
| WO-2014152737-A1 | SELECTIVE MODIFICATION OF ORGANIC COMPOUNDS IN THE PRESENCE OF AMINES AND/OR SULFIDES | HEPATOCHEM (US) | 2014-09-25 | — | — | WO | disclosed |