⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18924672 | 1.00 | — | — | |
| SCHEMBL772329 | 1.00 | — | — | |
| SCHEMBL18724693 | 0.86 | — | — | |
| SCHEMBL1911382 | 0.86 | — | — | |
| SCHEMBL18724761 | 0.86 | — | — | |
| SCHEMBL361400 | 0.85 | — | — | |
| SCHEMBL16609932 | 0.79 | — | — | |
| SCHEMBL27936411 | 0.77 | — | — | |
| SCHEMBL12802126 | 0.76 | MAPK1 (0.33) | — | |
| SCHEMBL10866589 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115803322-B | SARS-COV-2 inhibitors with covalent modifications for treatment of coronavirus infection | 英矽智能科技知识产权有限公司 | 2025-05-13 | — | — | CN | disclosed |
| US-20230174488-A1 | SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS | INSILICO MEDICINE IP LIMITED (HK) | 2023-06-08 | — | — | US | disclosed |
| US-20230174488-A1 | SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS | INSILICO MEDICINE IP LIMITED (HK) | 2023-06-08 | — | — | US | disclosed |
| CN-115803322-A | SARS-COV-2 inhibitors with covalent modification for the treatment of coronavirus infection | 英矽智能科技知识产权有限公司 | 2023-03-14 | — | — | CN | disclosed |
| EP-4143176-A1 | SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS | Insilico Medicine IP Limited (HK) | 2023-03-08 | — | — | EP | disclosed |
| US-9670166-B2 | Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-06-06 | — | — | US | disclosed |