⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13076577 | 0.79 | — | — | |
| SCHEMBL12477576 | 0.78 | — | — | |
| SCHEMBL12477580 | 0.78 | — | — | |
| SCHEMBL16024490 | 0.78 | — | — | |
| SCHEMBL13963551 | 0.77 | — | — | |
| SCHEMBL22103778 | 0.75 | ADH1B (0.39) | — | |
| SCHEMBL16002535 | 0.72 | — | — | |
| SCHEMBL2641365 | 0.72 | CTSD (0.38) | — | |
| SCHEMBL14747965 | 0.72 | ADH1B (0.43) | — | |
| SCHEMBL23113870 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3299372-A1 | INTERMEDIATE COMPOUNDS FOR THE PREPARATION OFSUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS | Array Biopharma, Inc. (US) | 2018-03-28 | — | — | EP | disclosed |
| EP-2943494-B1 | PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN | LILLY CO ELI (US) | 2017-02-22 | — | — | EP | disclosed |