⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11188555 | 1.00 | CA1 (0.61) | — | |
| SCHEMBL7735300 | 0.80 | CA1 (0.58) | — | |
| SCHEMBL11236074 | 0.78 | CA1 (0.56) | — | |
| SCHEMBL2142266 | 0.78 | CA12 (0.56) | — | |
| SCHEMBL4880778 | 0.78 | EPHX1 (0.50) | — | |
| SCHEMBL28333231 | 0.78 | CA12 (0.56) | — | |
| SCHEMBL11170370 | 0.78 | CA1 (0.56) | — | |
| SCHEMBL9057692 | 0.78 | CA1 (0.56) | — | |
| SCHEMBL1001647 | 0.78 | CA1 (0.56) | — | |
| SCHEMBL3084587 | 0.78 | CA1 (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4269773-A | CEPHALOSPORINS | SHIONOGI & CO., LTD. (JP) | 1981-05-26 | — | — | US | claimed |
| US-4957912-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1990-09-18 | — | — | US | disclosed |
| US-4269773-A | CEPHALOSPORINS | SHIONOGI & CO., LTD. (JP) | 1981-05-26 | — | — | US | disclosed |
| US-4258040-A | Cephalosporin compounds | MERCK & CO., INC. (US) | 1981-03-24 | — | — | US | disclosed |
| US-4226866-A | BACTERICIDES, ACYLATION | MERCK & CO., INC. (US) | 1980-10-07 | — | — | US | disclosed |
| US-4159984-A | METAL AND PROTON DONOR | SHIONOGI & CO., LTD. (JP) | 1979-07-03 | — | — | US | disclosed |
| US-4150223-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1979-04-17 | — | — | US | disclosed |
| US-4060687-A | Cephalosporins having a 3-α substituted alkyl grouping | MERCK & CO., INC. (US) | 1977-11-29 | — | — | US | disclosed |
| US-4032521-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1977-06-28 | — | — | US | disclosed |
| US-3947413-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1976-03-30 | — | — | US | disclosed |