⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8069937 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL11637330 | 0.76 | FFAR3 (0.33) | — | |
| Hydrochloric Acid SCHEMBL14955726 | 0.67 | — | — | |
| SCHEMBL1515581 | 0.65 | PKM (0.32) | — | |
| Hydrochloric Acid SCHEMBL31757941 | 0.65 | NSD2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL2105122 | 0.65 | KDM4E (0.33) | — | |
| SCHEMBL10381635 | 0.65 | CYP2C19 (0.36) | — | |
| Hydrochloric Acid SCHEMBL4622019 | 0.65 | — | — | |
| SCHEMBL31040639 | 0.64 | — | — | |
| Cyclohexane SCHEMBL2491823 | 0.63 | CYP2C19 (0.39) | — |
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-118525021-A | MALT 1-targeted proteolytic compounds | 上海齐鲁制药研究中心有限公司 | 2024-08-20 | — | — | CN | disclosed |