⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9586341 | 0.78 | — | — | |
| SCHEMBL7469749 | 0.78 | — | — | |
| SCHEMBL9862130 | 0.78 | — | — | |
| SCHEMBL9174004 | 0.71 | PDCD1 (0.41) | — | |
| SCHEMBL39411 | 0.67 | — | — | |
| SCHEMBL1004105 | 0.67 | — | — | |
| SCHEMBL24946531 | 0.66 | CYP19A1 (0.36) | — | |
| SCHEMBL29558949 | 0.66 | CYP19A1 (0.36) | — | |
| SCHEMBL29558914 | 0.66 | CYP19A1 (0.36) | — | |
| SCHEMBL24947171 | 0.66 | CYP19A1 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025051738-A1 | FURANE-CONTAINING POLYMERS | UNIVERSITÄT BIELEFELD (DE) | 2025-03-13 | — | — | WO | disclosed |
| CN-117624088-A | Method for preparing 2, 5-furandimethylamine by hydrogenation | 中科国生(杭州)科技有限公司 | 2024-03-01 | — | — | CN | disclosed |