⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4582641 | 0.76 | — | — | |
| SCHEMBL1359627 | 0.76 | KMT2A (0.50) | — | |
| SCHEMBL5260752 | 0.74 | — | — | |
| SCHEMBL7013911 | 0.74 | — | — | |
| SCHEMBL15353450 | 0.74 | KMT2A (0.34) | — | |
| Ethylene SCHEMBL2040209 | 0.72 | KMT2A (0.47) | — | |
| Methoxymethane SCHEMBL28320503 | 0.72 | KMT2A (0.51) | — | |
| SCHEMBL22426542 | 0.72 | KMT2A (0.36) | — | |
| SCHEMBL23317541 | 0.71 | KMT2A (0.35) | — | |
| SCHEMBL22431904 | 0.69 | TSHR (0.38) | — |
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-108383761-B | 2- aryl sulfuryl -2,2- difluoro aziethane compound and the preparation method and application thereof | 天津大学 | 2019-08-13 | — | — | CN | disclosed |
| CN-108383761-A | 2- aryl sulfuryl -2,2- difluoro aziethane compounds and the preparation method and application thereof | 天津大学 | 2018-08-10 | — | — | CN | disclosed |