⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11526731 | 0.98 | PDPK1 (0.33) | — | |
| SCHEMBL11528231 | 0.79 | — | — | |
| SCHEMBL11526838 | 0.77 | HCAR2 (0.32) | — | |
| SCHEMBL11778806 | 0.74 | — | — | |
| SCHEMBL7313659 | 0.74 | PDPK1 (0.39) | — | |
| SCHEMBL1342306 | 0.74 | — | — | |
| SCHEMBL8699118 | 0.72 | PDPK1 (0.35) | — | |
| SCHEMBL11532442 | 0.72 | YTHDC1 (0.39) | — | |
| SCHEMBL12050686 | 0.71 | HAO1 (0.35) | — | |
| SCHEMBL11530994 | 0.71 | YTHDC1 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4142046-A | BACTERICIDES, 7-AMINO-CEPHALOSPORINS | SMITHKLINE CORPORATION (US) | 1979-02-27 | — | — | US | disclosed |
| US-4060610-A | Pharmaceutical compositions comprising 7-acyl-3-(substituted triazolyl thiomethyl)-cephalosporins and methods of treating bacterial infections | SMITHKLINE CORPORATION (US) | 1977-11-29 | — | — | US | disclosed |
| US-3989694-A | ANTIBACTERIAL | SMITHKLINE CORPORATION (US) | 1976-11-02 | — | — | US | disclosed |