⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5775458 | 1.00 | — | — | |
| SCHEMBL8886206 | 0.79 | — | — | |
| SCHEMBL2505750 | 0.79 | — | — | |
| SCHEMBL16849592 | 0.77 | — | — | |
| SCHEMBL22522148 | 0.77 | — | — | |
| SCHEMBL27989508 | 0.77 | LMNA (0.41) | — | |
| SCHEMBL17911609 | 0.77 | — | — | |
| SCHEMBL14468461 | 0.77 | LMNA (0.41) | — | |
| Hydrochloric Acid SCHEMBL1478454 | 0.75 | CYP2D6 (0.36) | — | |
| SCHEMBL11063180 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107698748-B | Dynamic polymer of hybrid cross-linked network and application thereof | 翁秋梅 | 2020-03-10 | — | — | CN | disclosed |
| WO-1999050217-A1 | VALIOLONE, A METHOD OF PREPARING IT, AND ITS USE TO PREPARE ACARBOSE AND VOGLIBOSE | BAYER AKTIENGESELLSCHAFT (DE) | 1999-10-07 | — | — | WO | disclosed |