⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30890889 | 1.00 | — | — | |
| SCHEMBL28936457 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL20536084 | 0.76 | MEN1 (0.33) | — | |
| SCHEMBL2916476 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL9326112 | 0.68 | FFAR3 (0.33) | — | |
| SCHEMBL453463 | 0.67 | — | — | |
| SCHEMBL10547847 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL10799052 | 0.66 | — | — | |
| SCHEMBL27642886 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL391785 | 0.64 | FFAR3 (0.35) | — |
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-115197141-B | Fluorescent probe NI-CO-HCYS for cystathionine gamma lyase detection | 中国科学院大连化学物理研究所 | 2024-03-29 | — | — | CN | disclosed |