⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11634765 | 0.78 | — | — | |
| SCHEMBL3267436 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL379708 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL14335771 | 0.74 | GABRA1 (0.31) | — | |
| Charcoal, Activated SCHEMBL30558882 | 0.73 | KDM4E (0.31) | — | |
| SCHEMBL7213876 | 0.67 | NISCH (0.35) | — | |
| SCHEMBL27942235 | 0.65 | GABRA1 (0.41) | — | |
| SCHEMBL20239651 | 0.65 | — | — | |
| SCHEMBL31229097 | 0.64 | KDM4E (0.44) | — | |
| SCHEMBL2086503 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2591674-B1 | Heterocyclic compounds as pest controllers | BAYER CROPSCIENCE AG (DE) | 2016-01-13 | — | — | EP | claimed |
| CN-115463219-A | Pharmaceutical composition containing beta-lactam compound and application thereof | 中国医学科学院医药生物技术研究所 | 2022-12-13 | — | — | CN | disclosed |