⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL77786 | 1.00 | — | — | |
| SCHEMBL348076 | 0.97 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL6624504 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL989800 | 0.97 | — | — | |
| SCHEMBL170941 | 0.97 | — | — | |
| Bromide SCHEMBL23499956 | 0.94 | SMN1; SMN2 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL16146085 | 0.94 | SMN1; SMN2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL27734259 | 0.94 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL5746901 | 0.93 | — | — | |
| SCHEMBL11771179 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190210975-A1 | CYCLIC COMPOUND ACTING AS PDE4 INHIBITOR | MEDSHINE DISCOVERY INC. (CN) | 2019-07-11 | — | — | US | disclosed |