⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6470307 | 0.91 | — | — | |
| SCHEMBL54554 | 0.91 | — | — | |
| SCHEMBL2692827 | 0.89 | — | — | |
| SCHEMBL14118744 | 0.89 | — | — | |
| SCHEMBL3261426 | 0.89 | — | — | |
| SCHEMBL4337658 | 0.86 | — | — | |
| Hexane SCHEMBL9718001 | 0.85 | NAAA (0.34) | — | |
| SCHEMBL4467771 | 0.82 | — | — | |
| SCHEMBL4469403 | 0.82 | — | — | |
| P-Xylene SCHEMBL888077 | 0.81 | MEN1 (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 |
|---|---|---|---|---|---|---|---|
| CN-114645481-A | Roll and device for making paper, cardboard, household paper and the like | 维美德技术有限公司 | 2022-06-21 | — | — | CN | disclosed |