⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL9124727 | 0.90 | BLM (0.38) | — | |
| SCHEMBL107617 | 0.75 | — | — | |
| SCHEMBL4191579 | 0.75 | — | — | |
| SCHEMBL7058126 | 0.73 | CA5A (0.33) | — | |
| SCHEMBL940993 | 0.71 | — | — | |
| SCHEMBL8932213 | 0.71 | — | — | |
| Nitric Acid SCHEMBL6263829 | 0.71 | CA5A (0.47) | — | |
| SCHEMBL940991 | 0.71 | — | — | |
| SCHEMBL28662297 | 0.71 | — | — | |
| SCHEMBL13814726 | 0.70 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6680408-B2 | REACTING S-METHYL NITROISOTHIOUREA WITH ALPHA-ETHYLBENZYLAMINE IN THE PRESENCE OF WATER AND ETHANOL MIXTURES TO FORM 1-(ALPHA-ETHYLBENZYL)-3-NITROGUANIDINE, USED AS PREEMERGENCE HERBICIDES | BAYER CROPSCIENCE LP | 2004-01-20 | — | — | US | claimed |
| US-20030236168-A1 | PROCESSES FOR THE PREPARATION OF ALPHA-SUBSTITUTED BENZYLNITROGUANIDINES | BAYER CORPORATION | 2003-12-25 | — | — | US | claimed |
| JP-10007648-A | — | — | None | — | — | JP | disclosed |
| EP-1187833-B1 | METHOD OF PRODUCING THIAMETHOXAM | SYNGENTA PARTICIPATIONS AG (CH) | 2007-06-06 | — | — | EP | disclosed |
| US-6747146-B2 | USING PHASE TRANSFER CATALYST AND QUATERNARY AMMONIUM COMPOUND | SYNGENTA CROP PROTECTION, INC. | 2004-06-08 | — | — | US | disclosed |
| US-6680408-B2 | REACTING S-METHYL NITROISOTHIOUREA WITH ALPHA-ETHYLBENZYLAMINE IN THE PRESENCE OF WATER AND ETHANOL MIXTURES TO FORM 1-(ALPHA-ETHYLBENZYL)-3-NITROGUANIDINE, USED AS PREEMERGENCE HERBICIDES | BAYER CROPSCIENCE LP | 2004-01-20 | — | — | US | disclosed |
| US-6680408-B2 | REACTING S-METHYL NITROISOTHIOUREA WITH ALPHA-ETHYLBENZYLAMINE IN THE PRESENCE OF WATER AND ETHANOL MIXTURES TO FORM 1-(ALPHA-ETHYLBENZYL)-3-NITROGUANIDINE, USED AS PREEMERGENCE HERBICIDES | BAYER CROPSCIENCE LP | 2004-01-20 | — | — | US | disclosed |
| US-20030236168-A1 | PROCESSES FOR THE PREPARATION OF ALPHA-SUBSTITUTED BENZYLNITROGUANIDINES | BAYER CORPORATION | 2003-12-25 | — | — | US | disclosed |
| US-20030236168-A1 | PROCESSES FOR THE PREPARATION OF ALPHA-SUBSTITUTED BENZYLNITROGUANIDINES | BAYER CORPORATION | 2003-12-25 | — | — | US | disclosed |
| US-20030130520-A1 | Method of producing pesticides | MAIENFISCH PETER (CH) | 2003-07-10 | — | — | US | disclosed |
| US-20030092915-A1 | Method of producing nitroguanidine- and nitroenamine derivatives | SYNGENTA CROP PROTECTION, INC. | 2003-05-15 | — | — | US | disclosed |
| EP-1068203-A1 | PROCESS FOR THE PREPARATION OF NITROGUANIDINE DERIVATIVES | Syngenta Participations AG (CH) | 2001-01-17 | — | — | EP | disclosed |
| WO-2001000623-A1 | METHOD OF PRODUCING NITROGUANIDINE- AND NITROENAMINE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2001-01-04 | — | — | WO | disclosed |
| WO-1999047520-A1 | PROCESS FOR THE PREPARATION OF NITROGUANIDINE DERIVATIVES | NOVARTIS AG (CH) | 1999-09-23 | — | — | WO | disclosed |
| JP-H107648-A | PRODUCTION OF 1,2-DISUBSTITUTED-3-NITROISOTHIOUREA COMPOUND | MITSUI PETROCHEM IND LTD | 1998-01-13 | — | — | JP | disclosed |
| US-5245040-A | PROCESS FOR THE PREPARATION OF NITROGUANIDINE DERIVATIVES | CIBA-GEIGY CORPORATION (US) | 1993-09-14 | — | — | US | disclosed |
| EP-0049618-B1 | IMPROVEMENTS IN OR RELATING TO 2,4-DISUBSTITUTED THIAZOLE DERIVATIVES | ELI LILLY AND COMPANY (US) | 1985-08-14 | — | — | EP | disclosed |
| US-4382090-A | N-Thiazolylmethylthioalkyl-N'alkylamidines and related compounds | ELI LILLY AND COMPANY (US) | 1983-05-03 | — | — | US | disclosed |
| EP-0049618-A1 | Improvements in or relating to 2,4-disubstituted thiazole derivatives | ELI LILLY AND COMPANY (US) | 1982-04-14 | — | — | EP | disclosed |
| US-4137237-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-01-30 | — | — | US | disclosed |