⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7840753 | 1.00 | — | — | |
| SCHEMBL7955435 | 0.84 | CA12 (0.32) | — | |
| SCHEMBL27693399 | 0.79 | SLC1A3 (0.30) | — | |
| SCHEMBL11196389 | 0.77 | — | — | |
| SCHEMBL7955439 | 0.77 | CTSS (0.31) | — | |
| SCHEMBL2252751 | 0.76 | — | — | |
| SCHEMBL3670330 | 0.76 | — | — | |
| SCHEMBL2254815 | 0.76 | — | — | |
| SCHEMBL28097909 | 0.74 | MAPK1 (0.38) | — | |
| SCHEMBL7836353 | 0.73 | TP53 (0.35) | — |
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-1137640-A1 | CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-04 | — | — | EP | disclosed |
| WO-2000035885-A1 | CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-22 | — | — | WO | disclosed |