⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL295994 | 0.75 | CXCR3 (0.37) | — | |
| SCHEMBL10547757 | 0.74 | KDM1A (0.33) | — | |
| SCHEMBL850818 | 0.74 | KDM1A (0.33) | — | |
| SCHEMBL7593007 | 0.74 | KDM1A (0.33) | — | |
| SCHEMBL634873 | 0.72 | HDAC4 (0.35) | — | |
| SCHEMBL4999671 | 0.71 | — | — | |
| SCHEMBL6403776 | 0.70 | KDM1A (0.35) | — | |
| SCHEMBL2339926 | 0.70 | KDM1A (0.31) | — | |
| SCHEMBL8579139 | 0.67 | KDM1A (0.32) | — | |
| SCHEMBL316427 | 0.67 | KDM1A (0.32) | — |
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-112867742-A | Polyacrylate grafted rubber copolymers and thermoplastic molding compositions | 英力士苯领集团股份公司 | 2021-05-28 | — | — | CN | disclosed |