⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6945566 | 0.82 | KDM4E (0.33) | — | |
| SCHEMBL6940240 | 0.82 | ADAM17 (0.37) | — | |
| SCHEMBL6942309 | 0.81 | MMP2 (0.31) | — | |
| SCHEMBL6942209 | 0.80 | ADAM17 (0.33) | — | |
| SCHEMBL6943556 | 0.80 | ADAM17 (0.33) | — | |
| SCHEMBL8111706 | 0.80 | ADAM17 (0.33) | — | |
| SCHEMBL6944675 | 0.80 | — | — | |
| SCHEMBL6943373 | 0.78 | ADAM17 (0.33) | — | |
| SCHEMBL6937784 | 0.78 | ADAM17 (0.33) | — | |
| SCHEMBL6947540 | 0.77 | CTSK (0.33) | — |
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-0993442-B1 | HYDRAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2003-04-23 | — | — | EP | disclosed |