⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13595177 | 1.00 | — | — | |
| SCHEMBL10139309 | 1.00 | — | — | |
| SCHEMBL12597887 | 1.00 | — | — | |
| SCHEMBL13593528 | 0.80 | — | — | |
| SCHEMBL19423045 | 0.80 | — | — | |
| SCHEMBL11792052 | 0.74 | POLB (0.39) | — | |
| SCHEMBL7304361 | 0.72 | — | — | |
| SCHEMBL8334459 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL8333941 | 0.72 | — | — | |
| SCHEMBL1783534 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090325889-A1 | HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR | CAMPBELL DAVID ALAN | 2009-12-31 | — | — | US | disclosed |
| EP-0351641-A1 | 1-Phenylpyrrole | NIHON BAYER AGROCHEM K.K. (JP) | 1990-01-24 | — | — | EP | disclosed |