⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10522935 | 0.77 | MCL1 (0.40) | — | |
| SCHEMBL8503194 | 0.77 | — | — | |
| SCHEMBL6342121 | 0.77 | MCL1 (0.40) | — | |
| SCHEMBL26454907 | 0.72 | LMNA (0.43) | — | |
| SCHEMBL10946037 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL10525060 | 0.72 | MCL1 (0.37) | — | |
| SCHEMBL10521218 | 0.70 | MCL1 (0.36) | — | |
| SCHEMBL2106440 | 0.70 | — | — | |
| SCHEMBL6057100 | 0.69 | — | — | |
| SCHEMBL9700762 | 0.69 | MCL1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5015737-A | Antibiotics, bactericides | THE UPJOHN COMPANY (US) | 1991-05-14 | — | — | US | disclosed |
| EP-0300636-A1 | Therapeutically useful beta-lactams | THE UPJOHN COMPANY (US) | 1989-01-25 | — | — | EP | disclosed |