⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15064229 | 0.74 | — | — | |
| SCHEMBL6912690 | 0.70 | — | — | |
| SCHEMBL17208899 | 0.63 | — | — | |
| SCHEMBL18019607 | 0.63 | — | — | |
| SCHEMBL17929018 | 0.62 | — | — | |
| SCHEMBL17929019 | 0.62 | — | — | |
| SCHEMBL18593275 | 0.60 | — | — | |
| SCHEMBL8002578 | 0.60 | — | — | |
| SCHEMBL20125066 | 0.59 | — | — | |
| SCHEMBL11917868 | 0.59 | — | — |
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-2018079628-A1 | PYRROLE DERIVATIVE WITH FUSED RING AND PHARMACEUTICAL USE THEREOF | 大日本住友製薬株式会社 | 2018-05-03 | — | — | WO | disclosed |