⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15330778 | 0.87 | TP53 (0.30) | — | |
| SCHEMBL3412825 | 0.87 | TP53 (0.30) | — | |
| SCHEMBL28338918 | 0.83 | — | — | |
| SCHEMBL1238252 | 0.83 | — | — | |
| SCHEMBL28299873 | 0.82 | — | — | |
| Water SCHEMBL27651933 | 0.81 | — | — | |
| Benzene SCHEMBL27686426 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL28600502 | 0.81 | — | — | |
| SCHEMBL27672417 | 0.80 | — | — | |
| SCHEMBL193861 | 0.78 | — | — |
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-109862890-A | Purifying CENICRIVIROC and the purifying intermediate for being used to prepare CENICRIVIROC | 妥必徕疗治公司 | 2019-06-07 | — | — | CN | claimed |
| CN-109862890-A | Purifying CENICRIVIROC and the purifying intermediate for being used to prepare CENICRIVIROC | 妥必徕疗治公司 | 2019-06-07 | — | — | CN | disclosed |