⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11786548 | 0.97 | — | — | |
| SCHEMBL11431837 | 0.80 | — | — | |
| SCHEMBL8770450 | 0.80 | — | — | |
| SCHEMBL10403239 | 0.72 | F2 (0.39) | — | |
| SCHEMBL19435 | 0.69 | — | — | |
| SCHEMBL11590354 | 0.69 | — | — | |
| SCHEMBL11767701 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL282156 | 0.68 | — | — | |
| SCHEMBL11360019 | 0.68 | — | — | |
| SCHEMBL18616970 | 0.68 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4081443-A | Penicillin oxides | SHIONOGI & CO., LTD. (JA) | 1978-03-28 | — | — | US | claimed |
| EP-0796890-A1 | Vulcanizable acrylic rubber composition | ENICHEM S.p.A. (IT) | 1997-09-24 | — | — | EP | disclosed |
| US-4374994-A | Process for preparation of 5-mercaptotetrazolyl-1-acetic acid | BRISTOL-MYERS COMPANY (US) | 1983-02-22 | — | — | US | disclosed |
| US-4271295-A | HALOGENATION STEP | SHIONOGI & CO., LTD. (JP) | 1981-06-02 | — | — | US | disclosed |
| US-4271296-A | CEPHALOSPORINS AND DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 1981-06-02 | — | — | US | disclosed |
| US-4233216-A | INTERMEDIATES FOR OXADETHIACEPHALOSPORINS | SHIONOGI & CO., LTD. (JP) | 1980-11-11 | — | — | US | disclosed |
| US-4220766-A | FROM PENICILLINS | SHIONOGI & CO., LTD. (JP) | 1980-09-02 | — | — | US | disclosed |
| US-4205166-A | 7-Substituted-3-aminoalkyl-, acylaminoalkyl-, or hydroxyalkyl-substituted heterocyclic thiomethyl-3-cephem-4-carboxylic acid derivatives and preparation thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1980-05-27 | — | — | US | disclosed |
| US-4153693-A | 1,4-Dihydro-4-oxo-pyridylacetamido cephalosporins and their utilization as medicinal agents for combating bacterial infections | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1979-05-08 | — | — | US | disclosed |
| US-4128510-A | 2,5-DIMERCAPTO-1,3,4-THIADIAZOLES | HERCULES INCORPORATED (US) | 1978-12-05 | — | — | US | disclosed |
| US-4081443-A | Penicillin oxides | SHIONOGI & CO., LTD. (JA) | 1978-03-28 | — | — | US | disclosed |
| US-4077965-A | Aminoalkyl- or hydroxyalkyl-substituted thiadiazole derivatives | FUJISAWA PHARMACEUTICAL CO., LTD. (JA) | 1978-03-07 | — | — | US | disclosed |
| US-4058521-A | 2-Halomethyl-2-nucleophilic substituted methyl penicillins | SHIONOGI & CO., LTD. (JA) | 1977-11-15 | — | — | US | disclosed |
| US-3946000-A | BACTERICIDES, POULTRY, ANIMALS | BRISTOL-MYERS COMPANY (US) | 1976-03-23 | — | — | US | disclosed |