⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL2448609 | 0.79 | CGAS (0.44) | — | |
| SCHEMBL1763126 | 0.79 | — | — | |
| SCHEMBL12226367 | 0.79 | — | — | |
| Water SCHEMBL6788837 | 0.79 | CGAS (0.44) | — | |
| SCHEMBL28268855 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL13478320 | 0.74 | — | — | |
| SCHEMBL19691214 | 0.74 | — | — | |
| SCHEMBL13827951 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL8994634 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL18994363 | 0.74 | HSD17B10 (0.37) | — |
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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008132162-A1 | 3- (SULPHONYLAMINO) -PHENYL-2 -HYDROXY-ETHYLAMINO DERIVATIVES USEFUL AS BETA-AGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-11-06 | — | — | WO | claimed |
| JP-2000511883-A | — | — | 2000-09-12 | — | — | JP | claimed |
| US-6080770-A | SUBSTITUTED 1,2,3-TRIAZOLE OR 1,2,4-TRIAZOLE COMPOUND | NOVO NORDISK A/S (DK) | 2000-06-27 | — | — | US | claimed |
| WO-1997040017-A2 | MODULATORS OF MOLECULES WITH PHOSPHOTYROSINE RECOGNITION UNITS | NOVO NORDISK A/S (DK) | 1997-10-30 | — | — | WO | claimed |
| EP-0412358-B1 | 3-AMINO-5-AMINOCARBONYL-1,2,4-TRIAZOLE DERIVATIVES | BAYER AG (DE) | 1993-09-29 | — | — | EP | claimed |
| US-5234897-A | Defoliants;desiccants; selectively combating dicotyledon weeds in monocotyledon crops | BAYER AKTIENGESELLSCHAFT (DE) | 1993-08-10 | — | — | US | claimed |
| EP-0399285-B1 | PROCESS FOR THE PREPARATION OF 3-AMINO-5-AMINOCARBONYL-1,2,4-TRIAZOLE DERIVATIVES | BAYER AG (DE) | 1992-09-30 | — | — | EP | claimed |
| US-5051517-A | Reacting a chloroformidine hydrochloride with an oxamohydrazide, forming bonds between carbon and nitrogen and cyclization | BAYER AKTIENGESELLSCHAFT (DE) | 1991-09-24 | — | — | US | claimed |
| JP-3017071-A | — | — | None | — | — | JP | disclosed |
| JP-3077873-A | — | — | None | — | — | JP | disclosed |
| JP-3077873-A | — | — | None | — | — | JP | disclosed |
| CN-104877001-B | Antifungal formulations | 西尼克斯公司 | 2020-07-03 | — | — | CN | disclosed |
| CN-104877001-A | Antifungal Agents | SCYNEXIS INC | 2015-09-02 | — | — | CN | disclosed |
| CN-102176827-B | Antifungal formulations | SCYNEXIS INC | 2015-05-20 | — | — | CN | disclosed |
| JP-H0377873-A | 3-AMINO-5-AMINOCARBOXYL-1,2,4-TRIAZOLE DERIVATIVE | BAYER AG | 1991-04-03 | — | — | JP | disclosed |
| EP-0412358-A1 | 3-Amino-5-aminocarbonyl-1,2,4-triazole derivatives | BAYER AG (DE) | 1991-02-13 | — | — | EP | disclosed |
| EP-0412358-A1 | 3-Amino-5-aminocarbonyl-1,2,4-triazole derivatives | BAYER AG (DE) | 1991-02-13 | — | — | EP | disclosed |
| JP-H0317071-A | PRODUCTION OF 3-AMINO-5-AMINOCARBONYL-1,2,4-TRIAZOLE DERIVATIVE | BAYER AG | 1991-01-25 | — | — | JP | disclosed |
| EP-0399285-A1 | Process for the preparation of 3-amino-5-aminocarbonyl-1,2,4-triazole derivatives | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |
| EP-0399285-A1 | Process for the preparation of 3-amino-5-aminocarbonyl-1,2,4-triazole derivatives | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |