⚠ 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 | |
|---|---|---|---|---|
| Pyrrole SCHEMBL30308670 | 0.85 | LMNA (0.33) | — | |
| Pyrrole SCHEMBL29088570 | 0.85 | — | — | |
| Pyrrole SCHEMBL27966815 | 0.81 | — | — | |
| Pyrrole SCHEMBL28254862 | 0.77 | — | — | |
| Pyrrole SCHEMBL1411959 | 0.76 | — | — | |
| Pyrrole SCHEMBL27473695 | 0.76 | — | — | |
| Pyrrole SCHEMBL4332476 | 0.76 | — | — | |
| Pyrrole SCHEMBL2885785 | 0.76 | — | — | |
| Pyrrole SCHEMBL15757584 | 0.76 | — | — | |
| Pyrrole SCHEMBL841068 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014041518-A1 | THIENOPYRROLE DERIVATIVES AS ITK INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2014-03-20 | — | — | WO | disclosed |