⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27999303 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL27916221 | 0.71 | GABRA5 (0.38) | — | |
| SCHEMBL11347159 | 0.70 | — | — | |
| SCHEMBL28177248 | 0.70 | CA1 (0.34) | — | |
| SCHEMBL10529709 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL10529714 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL3456250 | 0.69 | L3MBTL1 (0.44) | — | |
| SCHEMBL2443190 | 0.68 | — | — | |
| SCHEMBL4967700 | 0.68 | — | — | |
| SCHEMBL8973779 | 0.68 | CSNK2A1 (0.39) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0484881-B1 | Heteroaroyl derivatives of monocyclic beta-lactam antibiotics | SQUIBB & SONS INC (US) | 1999-04-07 | — | — | EP | disclosed |
| US-5705645-A | Hereroaryl derivatives of monocyclic beta-lactam antibiotics | E. R. SQUIBB & SONS, INC. (US) | 1998-01-06 | — | — | US | disclosed |
| US-5420277-A | BACTERICIDE INTERMEDIATES | E. R. SQUIBB & SONS, INC. (US) | 1995-05-30 | — | — | US | disclosed |
| US-5290929-A | Heteroaryl derivatives of monocyclic beta-lactam antibiotics | E. R. SQUIBB & SONS, INC. (US) | 1994-03-01 | — | — | US | disclosed |
| US-5250691-A | Heteroaryl derivatives of monocyclic beta-lactam antibiotics | E. R. SQUIBB & SONS, INC. (US) | 1993-10-05 | — | — | US | disclosed |
| EP-0531976-A1 | Heteroaryl derivatives of monocyclic beta-lactam antibiotics | E.R. SQUIBB & SONS, INC. (US) | 1993-03-17 | — | — | EP | disclosed |
| EP-0484881-A2 | Heteroaroyl derivatives of monocyclic beta-lactam antibiotics | E.R. SQUIBB & SONS, INC. (US) | 1992-05-13 | — | — | EP | disclosed |