⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28910492 | 1.00 | — | — | |
| SCHEMBL20985677 | 0.90 | — | — | |
| SCHEMBL29976245 | 0.84 | GNRHR (0.37) | — | |
| SCHEMBL28910497 | 0.84 | GNRHR (0.37) | — | |
| SCHEMBL28910503 | 0.84 | TGFBR1 (0.33) | — | |
| SCHEMBL29975854 | 0.84 | TGFBR1 (0.33) | — | |
| SCHEMBL29976060 | 0.81 | SDHB (0.33) | — | |
| SCHEMBL28910490 | 0.81 | SDHB (0.33) | — | |
| SCHEMBL29976113 | 0.79 | GNRHR (0.34) | — | |
| SCHEMBL28910485 | 0.79 | GNRHR (0.34) | — |
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-110023292-B | Apoptosis inhibitors | 北京生命科学研究所 | 2022-10-04 | — | — | CN | disclosed |