⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2209103 | 0.77 | — | — | |
| SCHEMBL4023693 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL18757668 | 0.72 | — | — | |
| SCHEMBL10123519 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL18757666 | 0.70 | — | — | |
| SCHEMBL18810117 | 0.70 | — | — | |
| SCHEMBL11406762 | 0.67 | — | — | |
| SCHEMBL8283993 | 0.67 | — | — | |
| SCHEMBL15386621 | 0.67 | — | — | |
| SCHEMBL11406937 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020081381-A1 | NOVEL ARYLALKYL PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2020-04-23 | — | — | WO | disclosed |
| EP-2763990-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-02-22 | — | — | EP | disclosed |