⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20920554 | 0.66 | — | — | |
| SCHEMBL24450636 | 0.61 | TDP1 (0.33) | — | |
| SCHEMBL6435402 | 0.59 | — | — | |
| SCHEMBL23584859 | 0.59 | — | — | |
| SCHEMBL12085045 | 0.59 | — | — | |
| SCHEMBL14499069 | 0.58 | — | — | |
| SCHEMBL24450631 | 0.58 | — | — | |
| SCHEMBL20597623 | 0.58 | — | — | |
| SCHEMBL23518933 | 0.56 | POLB (0.34) | — | |
| Terephthalic Acid SCHEMBL11348710 | 0.55 | ALDH1A1 (0.52) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3189041-B1 | TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS | CTXT PTY LTD (AU) | 2021-04-28 | — | — | EP | disclosed |