⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL48946 | 0.85 | — | — | |
| Hydrazine SCHEMBL17761197 | 0.83 | — | — | |
| Piperazine SCHEMBL28071040 | 0.81 | CXCR4 (0.32) | — | |
| Pyridine SCHEMBL28143460 | 0.81 | SLC6A2 (0.34) | — | |
| Pyridine SCHEMBL28283147 | 0.80 | CHRM2 (0.30) | — | |
| Pyridine SCHEMBL28122845 | 0.79 | TSHR (0.31) | — | |
| Pyridine SCHEMBL28147078 | 0.74 | TAAR1 (0.36) | — | |
| SCHEMBL27772678 | 0.72 | — | — | |
| SCHEMBL28109829 | 0.71 | TAAR1 (0.36) | — | |
| Pyridine SCHEMBL28141133 | 0.71 | SIGMAR1 (0.41) | — |
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-108137900-A | Curable composition | 株式会社钟化 | 2018-06-08 | — | — | CN | disclosed |