⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21016192 | 0.88 | — | — | |
| SCHEMBL20076197 | 0.84 | — | — | |
| SCHEMBL20076463 | 0.84 | PLA2G1B (0.32) | — | |
| SCHEMBL24608675 | 0.80 | — | — | |
| SCHEMBL13656354 | 0.79 | — | — | |
| SCHEMBL21015505 | 0.76 | — | — | |
| SCHEMBL21015626 | 0.76 | — | — | |
| SCHEMBL27296151 | 0.75 | — | — | |
| SCHEMBL27345667 | 0.74 | — | — | |
| SCHEMBL1162974 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3484856-B1 | 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS | REVOLUTION MEDICINES INC (US) | 2023-11-15 | — | — | EP | disclosed |
| US-10647747-B2 | Cyclosporin derivatives and uses thereof | S&T GLOBAL INC. (US) | 2020-05-12 | — | — | US | disclosed |
| US-20190151403-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. | 2019-05-23 | — | — | US | disclosed |
| US-20180105558-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. | 2018-04-19 | — | — | US | disclosed |
| US-9890198-B2 | Cyclosporin derivatives and uses thereof | S&T GLOBAL INC. (US) | 2018-02-13 | — | — | US | disclosed |