⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18407217 | 0.86 | CA12 (0.33) | — | |
| SCHEMBL17776428 | 0.86 | CA12 (0.33) | — | |
| SCHEMBL25530954 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL11179708 | 0.85 | — | — | |
| SCHEMBL30355067 | 0.83 | CA12 (0.56) | — | |
| SCHEMBL17230458 | 0.81 | CA12 (0.55) | — | |
| SCHEMBL15906464 | 0.81 | CA12 (0.55) | — | |
| SCHEMBL11654477 | 0.81 | CA12 (0.55) | — | |
| SCHEMBL5230655 | 0.81 | ALDH1A1 (0.37) | — | |
| SCHEMBL30017898 | 0.81 | HPGD (0.36) | — |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4410522-A | BACTERICIDES | TOYAMA CHEMICAL CO., LTD. (JP) | 1983-10-18 | — | — | US | claimed |
| US-4343937-A | ANTIBIOTICS, BACTERICIDES | MERCK & CO., INC. (US) | 1982-08-10 | — | — | US | claimed |
| US-4342869-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-08-03 | — | — | US | claimed |
| US-4342757-A | Cephalosporin antibiotic compositions | MERCK & CO., INC. (US) | 1982-08-03 | — | — | US | claimed |
| US-4338437-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-07-06 | — | — | US | claimed |
| US-4338438-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-07-06 | — | — | US | claimed |
| US-4324890-A | ANTIBIOTICS, BACTERICIDES | MERCK & CO., INC. (US) | 1982-04-13 | — | — | US | claimed |
| US-4297488-A | 7-α-Methoxy cephalosporins | MERCK & CO., INC. (US) | 1981-10-27 | — | — | US | claimed |
| US-20170136047-A1 | BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF | REMPEX PHARMACEUTICALS, INC. (US) | 2017-05-18 | — | — | US | disclosed |
| WO-2015092819-A2 | DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5- AMINE | NEKTAR THERAPEUTICS (INDIA) PVT. LTD. (IN) | 2015-06-25 | — | — | WO | disclosed |
| US-4891370-A | ELASTASE INHIBITORS | MERCK & CO., INC. (US) | 1990-01-02 | — | — | US | disclosed |
| US-4845088-A | ANTIINFLAMMATORY, ANTIDEGENERATIVE AGENTS | MERCK & CO., INC. (US) | 1989-07-04 | — | — | US | disclosed |
| US-4797396-A | INHIBITION OF ELASTASE, ANTIBIOTICS | MERCK & CO., INC. (US) | 1989-01-10 | — | — | US | disclosed |
| EP-0267723-A2 | New substituted cephalosporin sulfones as anti-inflammatory and anti-degenerative agents | MERCK & CO. INC. (US) | 1988-05-18 | — | — | EP | disclosed |
| US-4112090-A | BACTERICIDE | TOYAMA CHEMICAL CO., LTD. (JP) | 1978-09-05 | — | — | US | disclosed |
| US-4110327-A | BACTERICIDES | TOYAMA CHEMICAL CO., LTD. (JP) | 1978-08-29 | — | — | US | disclosed |
| US-4087424-A | Novel penicillins and cephalosporins and process for producing the same | TOYAMA CHEMICAL CO., LTD. (JA) | 1978-05-02 | — | — | US | disclosed |
| US-4086423-A | CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND | MERCK & CO., INC. (US) | 1978-04-25 | — | — | US | disclosed |
| US-4069319-A | 3-(DIALKYLPHOSPHORYL- OR THIOPHOSPHORYL-OXY)-1,2,4-THIADIAZOLES; INSECTICIDES, NEMATOCIDES | ROUSSEL UCLAF (FR) | 1978-01-17 | — | — | US | disclosed |
| US-4067720-A | Certain 2-carbamoyl-1,2,4-thiadiazole-3-one herbicides | ROUSSEL UCLAF (FR) | 1978-01-10 | — | — | US | disclosed |