⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6268314 | 0.76 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL6268319 | 0.74 | GAA (0.31) | — | |
| SCHEMBL6270700 | 0.73 | BCHE (0.37) | — | |
| SCHEMBL6271775 | 0.72 | BCHE (0.31) | — | |
| SCHEMBL6268517 | 0.72 | MAPK1 (0.30) | — | |
| SCHEMBL5582045 | 0.66 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL6267871 | 0.62 | KMT2A (0.31) | — | |
| SCHEMBL4067739 | 0.61 | — | — | |
| SCHEMBL9625946 | 0.60 | ABAT (0.33) | — | |
| SCHEMBL9545774 | 0.58 | ABAT (0.44) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7138122-B2 | Therapeutic systems | ENZACTA R & D LIMITED (GB) | 2006-11-21 | — | — | US | claimed |
| EP-0988059-B1 | HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT | ENZACTA R & D LTD (GB) | 2005-12-07 | — | — | EP | claimed |
| EP-1468698-A2 | HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT | ENZACTA R & D LIMITED (GB) | 2004-10-20 | — | — | EP | claimed |
| EP-0988059-B1 | HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT | ENZACTA R & D LTD (GB) | 2005-12-07 | — | — | EP | disclosed |
| EP-1468698-A2 | HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT | ENZACTA R & D LIMITED (GB) | 2004-10-20 | — | — | EP | disclosed |