⚠ 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 | |
|---|---|---|---|---|
| 2-Mercaptopyrimidine SCHEMBL51787 | 0.96 | — | — | |
| 2-Mercaptopyrimidine SCHEMBL11757055 | 0.96 | HSP90AA1 (0.41) | — | |
| 2-Mercaptopyrimidine SCHEMBL27668586 | 0.92 | — | — | |
| 2-Mercaptopyrimidine SCHEMBL28382901 | 0.92 | — | — | |
| 2-Mercaptopyrimidine SCHEMBL27696169 | 0.92 | — | — | |
| 2-Mercaptopyrimidine SCHEMBL10990058 | 0.92 | — | — | |
| 2-Mercaptopyrimidine SCHEMBL11573596 | 0.92 | — | — | |
| 2-Mercaptopyrimidine SCHEMBL28494292 | 0.89 | — | — | |
| 2-Mercaptopyrimidine SCHEMBL27262920 | 0.86 | HDAC8 (0.35) | — | |
| 2-Mercaptopyrimidine SCHEMBL11813294 | 0.81 | NAPRT (0.42) | — |
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-0089139-A2 | Antibiotics, their preparation and use | BEECHAM GROUP PLC (GB) | 1983-09-21 | — | — | EP | disclosed |
| EP-0060077-A1 | Beta-lactam antibiotics, their preparation and use | BEECHAM GROUP PLC (GB) | 1982-09-15 | — | — | EP | disclosed |