⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9117380 | 0.71 | CA2 (0.38) | — | |
| SCHEMBL346041 | 0.71 | KDM4E (0.34) | — | |
| SCHEMBL504372 | 0.70 | PAOX (0.33) | — | |
| SCHEMBL11147726 | 0.70 | KMT2A (0.34) | — | |
| SCHEMBL12541389 | 0.69 | APAF1 (0.36) | — | |
| SCHEMBL1070134 | 0.69 | PTGS1 (0.35) | — | |
| SCHEMBL1553508 | 0.68 | PTGS1 (0.36) | — | |
| SCHEMBL28901847 | 0.68 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL28038412 | 0.68 | KMT2A (0.33) | — | |
| SCHEMBL21787522 | 0.68 | ENPEP (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107922762-B | Adhesive dispersions based on radiation-curable polyurethanes | 惠普发展公司，有限责任合伙企业 | 2021-02-05 | — | — | CN | claimed |