⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22516291 | 1.00 | — | — | |
| SCHEMBL15960865 | 0.73 | — | — | |
| SCHEMBL12018610 | 0.73 | — | — | |
| SCHEMBL14077934 | 0.71 | — | — | |
| SCHEMBL13377810 | 0.71 | — | — | |
| SCHEMBL28222939 | 0.71 | — | — | |
| SCHEMBL19006329 | 0.69 | — | — | |
| SCHEMBL18482356 | 0.69 | — | — | |
| SCHEMBL17469489 | 0.69 | — | — | |
| SCHEMBL19905016 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2884981-B1 | 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF | MERCK SHARP & DOHME (US) | 2018-06-20 | — | — | EP | disclosed |
| EP-3044226-B1 | ARYL ETHER-BASE KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-09-06 | — | — | EP | disclosed |
| EP-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |