⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21042058 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL21041369 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL19475866 | 0.86 | TRPV1 (0.34) | — | |
| SCHEMBL21042437 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL21042228 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL21042059 | 0.76 | HTT (0.34) | — | |
| SCHEMBL21042938 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL21042061 | 0.74 | KMT2A (0.38) | — | |
| SCHEMBL21042053 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL21042221 | 0.72 | SMN1; SMN2 (0.31) | — |
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-10647671-B2 | Promysalin analogues and methods of use thereof | Temple University—Of the Commonwealth System of Higher Education (US) | 2020-05-12 | — | — | US | disclosed |
| US-20190161444-A1 | Novel Promysalin Analogues and Methods of Use Thereof | Temple University--of the Commonwealth System of Higher Education | 2019-05-30 | — | — | US | disclosed |