⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27779554 | 0.79 | — | — | |
| SCHEMBL27885536 | 0.65 | — | — | |
| SCHEMBL7269495 | 0.58 | — | — | |
| SCHEMBL27601125 | 0.56 | — | — | |
| SCHEMBL27780496 | 0.53 | — | — | |
| SCHEMBL29757298 | 0.52 | — | — | |
| SCHEMBL444308 | 0.51 | — | — | |
| SCHEMBL28171495 | 0.51 | — | — | |
| SCHEMBL10490619 | 0.49 | — | — | |
| SCHEMBL2537089 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109311855-A | Compound and application thereof for inhibiting cyclophilin | 默克专利有限公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-109071503-A | Compound and application thereof for inhibiting cyclophilin | 默克专利有限公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-101535276-B | 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors | CEPHALON INC | 2013-08-28 | — | — | CN | disclosed |
| CN-101535276-A | 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors | CEPHALON INC (US) | 2009-09-16 | — | — | CN | disclosed |