⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18116846 | 0.74 | — | — | |
| SCHEMBL8249419 | 0.74 | — | — | |
| SCHEMBL2838629 | 0.74 | — | — | |
| SCHEMBL84838 | 0.74 | — | — | |
| SCHEMBL10187117 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL16465149 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28954973 | 0.72 | — | — | |
| SCHEMBL18809573 | 0.70 | — | — | |
| SCHEMBL3072362 | 0.70 | — | — | |
| SCHEMBL19993250 | 0.70 | — | — |
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-2948442-B1 | PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2016-10-26 | — | — | EP | disclosed |