⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29374491 | 0.98 | — | — | |
| SCHEMBL667511 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL17842884 | 0.96 | P2RX7 (0.60) | — | |
| Hydrochloric Acid SCHEMBL28317610 | 0.96 | P2RX7 (0.60) | — | |
| Water SCHEMBL30487780 | 0.96 | P2RX7 (0.60) | — | |
| Formic Acid SCHEMBL25288297 | 0.90 | P2RX7 (0.55) | — | |
| Sulfuric Acid SCHEMBL29086963 | 0.90 | P2RX7 (0.55) | — | |
| Pyrrole SCHEMBL2231536 | 0.87 | P2RX7 (0.56) | — | |
| SCHEMBL27549393 | 0.87 | P2RX7 (0.56) | — | |
| Trifluoroacetic Acid SCHEMBL25283802 | 0.85 | P2RX7 (0.50) | — |
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-102304086-B | Heterocyclic inhibitors of MEK and methods of use thereof | ARRAY BIOPHARMA INC | 2013-12-04 | — | — | CN | disclosed |
| CN-102942522-A | Heterocyclic inhibitors of mek and methods of use thereof | ARRAY BIOPHARMA INC | 2013-02-27 | — | — | CN | disclosed |
| CN-102898364-A | Heterocyclic inhibitors of MEK and methods of use thereof | ARRAY BIOPHARMA INC | 2013-01-30 | — | — | CN | disclosed |
| CN-102321030-A | The heterocycle inhibitor of MEK and method of use thereof | ARRAY BIOPHARMA INC | 2012-01-18 | — | — | CN | disclosed |
| CN-102304086-A | Heterocyclic inhibitors of MEK and methods of use thereof | ASTRAZENECA AB | 2012-01-04 | — | — | CN | disclosed |
| CN-101626767-A | Heterocyclic inhibitors of MEK and methods of use thereof | ARRAY BIOPHARMA INC | 2010-01-13 | — | — | CN | disclosed |