⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL554621 | 1.00 | — | — | |
| SCHEMBL7141570 | 1.00 | — | — | |
| Propene SCHEMBL15482306 | 0.74 | — | — | |
| Hypochlorous Acid SCHEMBL28410055 | 0.72 | — | — | |
| Chloroprene SCHEMBL1898451 | 0.70 | — | — | |
| SCHEMBL7136957 | 0.70 | — | — | |
| Chloroprene SCHEMBL1900568 | 0.70 | — | — | |
| SCHEMBL269179 | 0.70 | — | — | |
| SCHEMBL269180 | 0.70 | — | — | |
| SCHEMBL28826902 | 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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4347355-A | Inhibitors of transpeptidase | ABBOTT LABORATORIES (US) | 1982-08-31 | — | — | US | claimed |
| WO-1982001875-A1 | INHIBITORS OF TRANSPEPTIDASE | ABBOTT LAB (US) | 1982-06-10 | — | — | WO | claimed |
| US-4001305-A | POLYURETHANES, OIL AND WATER REPELLANT, MOLD-RELEASE | CIBA-GEIGY CORPORATION (US) | 1977-01-04 | — | — | US | claimed |
| US-20240101521-A1 | DIAMINOTRIAZINE COMPOUNDS | BASF SE (DE) | 2024-03-28 | — | — | US | disclosed |
| US-20230017045-A1 | PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF | DOW AGROSCIENCES LLC (US) | 2023-01-19 | — | — | US | disclosed |
| EP-3700340-A1 | PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF | Dow Agrosciences LLC (US) | 2020-09-02 | — | — | EP | disclosed |
| CN-111278283-A | Pyridine and pyrimidine formate herbicides and methods of use thereof | 美国陶氏益农公司 | 2020-06-12 | — | — | CN | disclosed |
| WO-2018156554-A1 | 1-HYDROXY-1,3-DIHYDROBENZO[c][1,2]OXABOROLES AND THEIR USE AS HERBICIDES | DOW AGROSCIENCES LLC (US) | 2018-08-30 | — | — | WO | disclosed |
| US-20140057901-A1 | XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2014-02-27 | — | — | US | disclosed |
| US-20130165428-A1 | XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2013-06-27 | — | — | US | disclosed |
| US-20120252782-A1 | Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions | BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) | 2012-10-04 | — | — | US | disclosed |
| US-4347355-A | Inhibitors of transpeptidase | ABBOTT LABORATORIES (US) | 1982-08-31 | — | — | US | disclosed |
| WO-1982001875-A1 | INHIBITORS OF TRANSPEPTIDASE | ABBOTT LAB (US) | 1982-06-10 | — | — | WO | disclosed |
| US-4097642-A | URETHANE-CONTAINING | CIBA-GEIGY CORPORATION (US) | 1978-06-27 | — | — | US | disclosed |
| US-4085219-A | DIURETICS, SALURETICS, URICOSURIC AGENTS | MERCK & CO., INC. (US) | 1978-04-18 | — | — | US | disclosed |
| US-4081554-A | DIURETICS, SALURETICS, URICOSURICS | MERCK & CO., INC. (US) | 1978-03-28 | — | — | US | disclosed |
| US-4054592-A | Urethanes containing two perfluoroalkylthio groups | CIBA-GEIGY CORPORATION (US) | 1977-10-18 | — | — | US | disclosed |
| US-4001305-A | POLYURETHANES, OIL AND WATER REPELLANT, MOLD-RELEASE | CIBA-GEIGY CORPORATION (US) | 1977-01-04 | — | — | US | disclosed |
| US-3984465-A | DIURETIC, SALURETIC AND URICOSURIC | MERCK & CO., INC. (US) | 1976-10-05 | — | — | US | disclosed |
| US-3935277-A | OIL AND WATER REPELLENT INTERMEDIATES | CIBA-GEIGY CORPORATION (US) | 1976-01-27 | — | — | US | disclosed |