⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27769874 | 0.86 | MMP2 (0.47) | — | |
| SCHEMBL28107516 | 0.84 | MMP2 (0.45) | — | |
| SCHEMBL3418692 | 0.84 | S1PR2 (0.47) | — | |
| SCHEMBL11664977 | 0.83 | — | — | |
| SCHEMBL23000967 | 0.82 | S1PR2 (0.50) | — | |
| SCHEMBL8819161 | 0.82 | S1PR2 (0.50) | — | |
| SCHEMBL23001061 | 0.82 | S1PR2 (0.50) | — | |
| SCHEMBL28606781 | 0.82 | S1PR2 (0.50) | — | |
| SCHEMBL28707730 | 0.81 | S1PR2 (0.48) | — | |
| SCHEMBL29217554 | 0.81 | S1PR2 (0.48) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102206178-B | Method for preparing imrecoxib | SHANGHAI UNITRIS BIOPHARMA CO LTD | 2013-04-10 | — | — | CN | claimed |
| CN-102206178-A | Method for preparing imrecoxib | SHANGHAI UNITRIS BIOPHARMA CO LTD | 2011-10-05 | — | — | CN | claimed |
| EP-3502683-B1 | METHOD FOR CONTROLLING IMPURITY OF CYCLOSPORIN IN AN EYE GEL | ZHAOKE GUANGZHOU OPHTHALMOLOGY PHARMACEUTICAL LTD (CN) | 2022-02-02 | — | — | EP | disclosed |
| US-20190194258-A1 | METHOD FOR CONTROLLING IMPURITY OF CYCLOSPORIN A EYE GEL | ZHAOKE (GUANGZHOU) Ophthalmic Drug Company Limited (CN) | 2019-06-27 | — | — | US | disclosed |
| EP-3502683-A1 | METHOD FOR CONTROLLING IMPURITY OF CYCLOSPORIN A EYE GEL | Zhaoke (Guangzhou) Ophthalmic Drug Company Limited (CN) | 2019-06-26 | — | — | EP | disclosed |
| CN-102206178-B | Method for preparing imrecoxib | SHANGHAI UNITRIS BIOPHARMA CO LTD | 2013-04-10 | — | — | CN | disclosed |
| CN-102206178-A | Method for preparing imrecoxib | SHANGHAI UNITRIS BIOPHARMA CO LTD | 2011-10-05 | — | — | CN | disclosed |