⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7812200 | 1.00 | — | — | |
| SCHEMBL29353653 | 0.76 | — | — | |
| SCHEMBL6054530 | 0.75 | — | — | |
| Alanine SCHEMBL1332110 | 0.72 | — | — | |
| Alanine SCHEMBL14764702 | 0.72 | SLC7A5 (0.59) | — | |
| Alanine SCHEMBL452350 | 0.72 | SLC7A5 (0.59) | — | |
| SCHEMBL407879 | 0.72 | — | — | |
| SCHEMBL43026 | 0.72 | — | — | |
| Alanine SCHEMBL31 | 0.72 | — | — | |
| Alanine SCHEMBL254290 | 0.72 | SLC7A5 (0.59) | — |
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-108882700-B | Emulsifiable concentrates | 陶氏环球技术有限责任公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-111056889-A | N-alkyl/N-aryl thioamide derivatives and synthesis method and application thereof | 华东师范大学 | 2020-04-24 | — | — | CN | disclosed |