⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3644519 | 0.96 | — | — | |
| Water SCHEMBL28223847 | 0.92 | — | — | |
| SCHEMBL28760527 | 0.88 | — | — | |
| Thiosemicarbazide SCHEMBL19183587 | 0.70 | — | — | |
| Thiosemicarbazide SCHEMBL28669413 | 0.70 | ALDH1A1 (0.91) | — | |
| SCHEMBL7175552 | 0.67 | — | — | |
| Thiourea SCHEMBL2928082 | 0.66 | — | — | |
| SCHEMBL16002354 | 0.64 | — | — | |
| SCHEMBL11502193 | 0.64 | — | — | |
| SCHEMBL7026469 | 0.64 | — | — |
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-0926265-B1 | Method and compositions for producing copper surfaces for improved bonding and articles made therefrom | ATOTECH DEUTSCHLAND GMBH (DE) | 2002-11-13 | — | — | EP | disclosed |