⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28323977 | 0.88 | — | — | |
| SCHEMBL27627222 | 0.81 | HCAR3 (0.30) | — | |
| SCHEMBL28113598 | 0.76 | CTSK (0.34) | — | |
| SCHEMBL28325986 | 0.75 | HCAR3 (0.34) | — | |
| SCHEMBL27925650 | 0.74 | HSP90AB1 (0.32) | — | |
| SCHEMBL28323971 | 0.73 | HSP90AB1 (0.33) | — | |
| SCHEMBL28113663 | 0.73 | AKR1B1 (0.38) | — | |
| SCHEMBL28113601 | 0.69 | XPO1 (0.35) | — | |
| SCHEMBL28272803 | 0.68 | CYP1A2 (0.31) | — | |
| SCHEMBL28111034 | 0.66 | HCAR2 (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-106304835-A | Sgc stimulant | 铁木医药有限公司 | 2017-01-04 | — | — | CN | disclosed |