⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31320564 | 0.95 | — | — | |
| SCHEMBL31320529 | 0.79 | — | — | |
| SCHEMBL31320634 | 0.77 | — | — | |
| SCHEMBL31320551 | 0.77 | — | — | |
| SCHEMBL31320619 | 0.77 | — | — | |
| SCHEMBL31320603 | 0.75 | — | — | |
| SCHEMBL31320508 | 0.75 | — | — | |
| SCHEMBL31320680 | 0.74 | — | — | |
| SCHEMBL31320677 | 0.74 | — | — | |
| SCHEMBL31320494 | 0.73 | ABL1 (0.30) | — |
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-2024240062-A1 | PYRIDINE-PYRROLO DERIVATIVE AND USE THEREOF IN DRUGS | 广东东阳光药业股份有限公司 | 2024-11-28 | — | — | WO | disclosed |