⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3672425 | 0.72 | — | — | |
| SCHEMBL3102539 | 0.69 | — | — | |
| SCHEMBL5451601 | 0.69 | — | — | |
| SCHEMBL3937388 | 0.69 | — | — | |
| SCHEMBL3110492 | 0.69 | — | — | |
| SCHEMBL24649639 | 0.69 | — | — | |
| SCHEMBL620677 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL20526534 | 0.67 | — | — | |
| SCHEMBL31703968 | 0.67 | USP2 (0.52) | — | |
| SCHEMBL28220141 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4992544-A | Intermediates for b-lactam antibiotics and b-lactamase inhibitor | UNIVERSITY OF NOTRE DAME DU LAC (US) | 1991-02-12 | — | — | US | disclosed |