⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28556945 | 0.98 | KLK1 (0.30) | — | |
| SCHEMBL402279 | 0.79 | — | — | |
| SCHEMBL2396745 | 0.79 | — | — | |
| SCHEMBL4171832 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL9138606 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL29794674 | 0.78 | CYP1A2 (0.37) | — | |
| SCHEMBL4785366 | 0.76 | ALDH1A1 (0.32) | — | |
| Iodide SCHEMBL2379375 | 0.76 | — | — | |
| SCHEMBL4526969 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL9139780 | 0.73 | — | — |
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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109369467-A | A kind of N2Polyfluoroalkyl acyl group guanidine compound and preparation method thereof | 辽宁大学 | 2019-02-22 | — | — | CN | claimed |
| CN-106008274-A | Preparation method of N,N'-dicyclohexylurea | 绍兴文理学院 | 2016-10-12 | — | — | CN | claimed |
| US-10392350-B2 | N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof | LYCERA CORPORATION (US) | 2019-08-27 | — | — | US | disclosed |
| US-10392350-B2 | N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof | LYCERA CORPORATION (US) | 2019-08-27 | — | — | US | disclosed |
| EP-3080088-B1 | ALKYLPYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | LYCERA CORP (US) | 2019-07-31 | — | — | EP | disclosed |
| US-20190175556-A1 | TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | WILMINGTON TRUST, NATIONAL ASSOCIATION | 2019-06-13 | — | — | US | disclosed |
| EP-3080087-B1 | N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | LYCERA CORP (US) | 2019-05-22 | — | — | EP | disclosed |
| EP-3080089-B1 | TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1FO-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | LYCERA CORP (US) | 2019-05-08 | — | — | EP | disclosed |
| CN-109369467-A | A kind of N2Polyfluoroalkyl acyl group guanidine compound and preparation method thereof | 辽宁大学 | 2019-02-22 | — | — | CN | disclosed |
| US-20180334438-A1 | PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | WILMINGTON TRUST, NATIONAL ASSOCIATION | 2018-11-22 | — | — | US | disclosed |
| US-20180334438-A1 | PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | WILMINGTON TRUST, NATIONAL ASSOCIATION | 2018-11-22 | — | — | US | disclosed |
| US-20040104377-A1 | Non-toxic corrosion-protection pigments based on rare earth elements | UNIVERSITY OF DAYTON | 2004-06-03 | — | — | US | disclosed |
| US-20040020568-A1 | Non-toxic corrosion-protection conversion coats based on rare earth elements | DAYTON, UNIVERSITY OF | 2004-02-05 | — | — | US | disclosed |
| US-20040016910-A1 | Non-toxic corrosion-protection rinses and seals based on rare earth elements | DAYTON, UNIVERSITY OF | 2004-01-29 | — | — | US | disclosed |
| US-20040011252-A1 | Non-toxic corrosion-protection pigments based on manganese | UNIVERSITY OF DAYTON | 2004-01-22 | — | — | US | disclosed |
| US-20030234063-A1 | Non-toxic corrosion-protection conversion coats based on cobalt | DAYTON, UNIVERSITY OF | 2003-12-25 | — | — | US | disclosed |
| US-20030230363-A1 | Non-toxic corrosion-protection rinses and seals based on cobalt | UNIVERSITY OF DAYTON | 2003-12-18 | — | — | US | disclosed |
| WO-2003060192-A1 | NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT | UNIVERSITY OF DAYTON (US) | 2003-07-24 | — | — | WO | disclosed |
| WO-2003060191-A2 | NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT | UNIVERSITY OF DAYTON (US) | 2003-07-24 | — | — | WO | disclosed |
| WO-2003060019-A1 | NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT | UNIVERSITY OF DAYTON (US) | 2003-07-24 | — | — | WO | disclosed |