⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4794114 | 0.68 | — | — | |
| SCHEMBL19990168 | 0.63 | LTA4H (0.31) | — | |
| SCHEMBL9330385 | 0.63 | KDM4E (0.34) | — | |
| SCHEMBL332453 | 0.59 | PARP10 (0.35) | — | |
| SCHEMBL14613666 | 0.55 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL17916237 | 0.55 | ALDH1A1 (0.40) | — | |
| SCHEMBL6026877 | 0.55 | HTT (0.46) | — | |
| SCHEMBL6293125 | 0.53 | KDM4E (0.62) | — | |
| SCHEMBL6289306 | 0.53 | KDM4E (0.62) | — | |
| SCHEMBL7806601 | 0.53 | CA2 (0.59) | — |
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-106575080-B | Energy-sensitive resin composition | 东京应化工业株式会社 | 2020-08-11 | — | — | CN | disclosed |