⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10400391 | 1.00 | — | — | |
| SCHEMBL10398856 | 0.65 | — | — | |
| SCHEMBL10398855 | 0.65 | — | — | |
| SCHEMBL10399788 | 0.65 | — | — | |
| SCHEMBL27723576 | 0.65 | — | — | |
| SCHEMBL21546100 | 0.59 | — | — | |
| SCHEMBL21858481 | 0.59 | — | — | |
| SCHEMBL15825240 | 0.59 | — | — | |
| SCHEMBL9443142 | 0.57 | — | — | |
| SCHEMBL2658140 | 0.56 | — | — |
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-4937331-A | Chemical intermediates for antibiotics | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1990-06-26 | — | — | US | disclosed |
| EP-0334593-A1 | Chiral azetidinone epoxides | THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1989-09-27 | — | — | EP | disclosed |