⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20240643 | 0.68 | OPRM1 (0.32) | — | |
| SCHEMBL27634071 | 0.64 | DRD2 (0.43) | — | |
| SCHEMBL31371179 | 0.60 | OPRM1 (0.34) | — | |
| SCHEMBL17576273 | 0.60 | SLC6A4 (0.43) | — | |
| SCHEMBL25137317 | 0.58 | OPRM1 (0.41) | — | |
| SCHEMBL22066511 | 0.58 | CHRNA7 (0.38) | — | |
| SCHEMBL17861580 | 0.57 | OPRM1 (0.44) | — | |
| SCHEMBL25137314 | 0.57 | SLC6A4 (0.44) | — | |
| SCHEMBL20752510 | 0.55 | SLC6A4 (0.42) | — | |
| SCHEMBL3122245 | 0.55 | KMT2A (0.48) | — |
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-112390755-B | Heteroaryl method for amine | 中国科学院理化技术研究所 | 2024-08-02 | — | — | CN | claimed |