⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7243082 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28204587 | 0.73 | — | — | |
| SCHEMBL12853815 | 0.73 | — | — | |
| SCHEMBL3126363 | 0.72 | — | — | |
| SCHEMBL14690624 | 0.72 | — | — | |
| SCHEMBL16475528 | 0.72 | CYP2C19 (0.40) | — | |
| Hydrochloric Acid SCHEMBL4609125 | 0.69 | — | — | |
| SCHEMBL28241779 | 0.69 | — | — | |
| SCHEMBL12853937 | 0.67 | — | — | |
| SCHEMBL4450269 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107021951-A | SGC stimulators | 铁木医药有限公司 | 2017-08-08 | — | — | CN | disclosed |
| CN-103313976-B | sGC stimulators | 铁木医药有限公司 | 2016-11-23 | — | — | CN | disclosed |