⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL17241817 | 0.76 | — | — | |
| SCHEMBL4095570 | 0.73 | — | — | |
| SCHEMBL9309407 | 0.73 | — | — | |
| SCHEMBL15546449 | 0.73 | — | — | |
| SCHEMBL10002009 | 0.73 | — | — | |
| SCHEMBL1218895 | 0.71 | — | — | |
| SCHEMBL16666909 | 0.71 | — | — | |
| SCHEMBL7529686 | 0.67 | — | — | |
| SCHEMBL23505340 | 0.67 | MAPT (0.32) | — | |
| SCHEMBL21287534 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3936502-A1 | PYRAZINE DERIVATIVE AND APPLICATION THEREOF IN INHIBITING SHP2 | Suzhou Genhouse Pharmaceutical Co., Ltd. (CN) | 2022-01-12 | — | — | EP | disclosed |