⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2318908 | 0.86 | AKR1B1 (0.33) | — | |
| SCHEMBL2320515 | 0.76 | AKR1B1 (0.33) | — | |
| SCHEMBL477499 | 0.76 | — | — | |
| SCHEMBL1198324 | 0.76 | — | — | |
| SCHEMBL13062482 | 0.76 | — | — | |
| SCHEMBL37362 | 0.76 | — | — | |
| SCHEMBL6272445 | 0.76 | AKR1B1 (0.41) | — | |
| SCHEMBL22720619 | 0.76 | AKR1B1 (0.41) | — | |
| SCHEMBL22720618 | 0.76 | AKR1B1 (0.41) | — | |
| SCHEMBL97624 | 0.76 | — | — |
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-117412757-A | Combination therapy of 4 '-thio-5-aza-2' -deoxycytidine and valnemulin | 匹诺生物股份有限公司 | 2024-01-16 | — | — | CN | disclosed |
| EP-0514036-A2 | Preparation of thionucleosides | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-11-19 | — | — | EP | disclosed |