⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21556543 | 0.78 | CYP2D6 (0.46) | — | |
| SCHEMBL6903897 | 0.77 | — | — | |
| SCHEMBL11447907 | 0.77 | — | — | |
| SCHEMBL376584 | 0.77 | — | — | |
| SCHEMBL15594561 | 0.77 | — | — | |
| SCHEMBL27889907 | 0.76 | CYP2D6 (0.47) | — | |
| SCHEMBL7059821 | 0.76 | CYP2D6 (0.52) | — | |
| SCHEMBL28589905 | 0.74 | FDPS (0.42) | — | |
| SCHEMBL2386342 | 0.73 | — | — | |
| SCHEMBL5429454 | 0.73 | CYP2D6 (0.39) | — |
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 |