⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11034631 | 0.82 | — | — | |
| SCHEMBL21582063 | 0.62 | — | — | |
| SCHEMBL2966232 | 0.62 | — | — | |
| SCHEMBL2181044 | 0.61 | — | — | |
| SCHEMBL23388795 | 0.54 | — | — | |
| SCHEMBL2250150 | 0.53 | — | — | |
| SCHEMBL601190 | 0.48 | — | — | |
| SCHEMBL77862 | 0.47 | — | — | |
| SCHEMBL10946593 | 0.45 | — | — | |
| SCHEMBL5076426 | 0.45 | — | — |
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-112135635-A | Novel small molecule drug conjugate of gemcitabine derivative | 马福瑞克斯肿瘤学股份有限公司 | 2020-12-25 | — | — | CN | disclosed |
| US-4496600-A | Flavoring with 2-mercaptoalkyl oxathiolanes and oxathianes | GENERAL FOODS CORPORATION (US) | 1985-01-29 | — | — | US | disclosed |