⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17599072 | 0.61 | — | — | |
| SCHEMBL1426230 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL28481461 | 0.59 | — | — | |
| SCHEMBL13788205 | 0.59 | — | — | |
| SCHEMBL5553295 | 0.59 | — | — | |
| SCHEMBL25297514 | 0.57 | — | — | |
| SCHEMBL4043463 | 0.56 | — | — | |
| SCHEMBL11428509 | 0.56 | — | — | |
| SCHEMBL1056660 | 0.56 | — | — | |
| SCHEMBL13557994 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3214086-B1 | SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND | UBE INDUSTRIES (JP) | 2021-09-22 | — | — | EP | disclosed |