⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29072224 | 1.00 | — | — | |
| SCHEMBL26101147 | 0.74 | SIGMAR1 (0.36) | — | |
| SCHEMBL31389439 | 0.73 | FAAH (0.35) | — | |
| SCHEMBL12208788 | 0.72 | MET (0.36) | — | |
| SCHEMBL27568268 | 0.71 | SIGMAR1 (0.39) | — | |
| SCHEMBL18761949 | 0.71 | POLB (0.32) | — | |
| SCHEMBL18774627 | 0.71 | POLB (0.32) | — | |
| SCHEMBL17199516 | 0.71 | POLB (0.32) | — | |
| SCHEMBL18774628 | 0.71 | POLB (0.32) | — | |
| SCHEMBL18781521 | 0.71 | POLB (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-116693458-A | Cycloalkyl or heterocyclyl substituted heteroaryl compounds, compositions and uses thereof | 深圳市塔吉瑞生物医药有限公司 | 2023-09-05 | — | — | CN | disclosed |