⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23954481 | 0.74 | — | — | |
| SCHEMBL18102222 | 0.72 | — | — | |
| SCHEMBL21347980 | 0.72 | — | — | |
| SCHEMBL24860992 | 0.72 | — | — | |
| SCHEMBL20387745 | 0.72 | — | — | |
| SCHEMBL15281396 | 0.69 | — | — | |
| SCHEMBL17935520 | 0.69 | — | — | |
| SCHEMBL16351072 | 0.67 | — | — | |
| SCHEMBL15004074 | 0.65 | — | — | |
| SCHEMBL20621636 | 0.62 | — | — |
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-2021039961-A1 | RING-FUSED PYRAZOLE DERIVATIVE | 大日本住友製薬株式会社 | 2021-03-04 | — | — | WO | disclosed |