⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1374016 | 0.74 | — | — | |
| SCHEMBL28561507 | 0.70 | — | — | |
| SCHEMBL3706164 | 0.70 | — | — | |
| SCHEMBL6743390 | 0.65 | — | — | |
| SCHEMBL16440003 | 0.65 | — | — | |
| SCHEMBL16439892 | 0.65 | — | — | |
| SCHEMBL16432498 | 0.65 | — | — | |
| SCHEMBL5977275 | 0.63 | KDM4E (0.32) | — | |
| SCHEMBL946312 | 0.61 | — | — | |
| SCHEMBL1044994 | 0.60 | — | — |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0871625-B1 | PREPARATION OF TRIAZOLES BY ORGANOMETALLIC ADDITION TO KETONES AND INTERMEDIATES THEREFOR | PFIZER RES ANDDEVELOPMENT COMP (IE) | 2003-12-17 | — | — | EP | claimed |
| US-20030181720-A1 | Preparation of triazoles by organometallic addition to ketones and intermediates therefor | BUTTERS MICHAEL (GB) | 2003-09-25 | — | — | US | claimed |
| US-6586594-B1 | Reacting 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl) ethanone and 6-(1-bromoethyl)-4-chloro-5-fluoropyrimidine in the presence of zinc, iodine, lewis acids, aprotic solvents and optionally lead to form sterospecific fungicides | PFIZER, INC. | 2003-07-01 | — | — | US | claimed |
| EP-0871625-A1 | PREPARATION OF TRIAZOLES BY ORGANOMETALLIC ADDITION TO KETONES AND INTERMEDIATES THEREFOR | Pfizer Research and Development Company, N.V./S.A. (IE) | 1998-10-21 | — | — | EP | claimed |
| WO-1997006160-A1 | PREPARATION OF TRIAZOLES BY ORGANOMETALLIC ADDITION TO KETONES AND INTERMEDIATES THEREFOR | PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) | 1997-02-20 | — | — | WO | claimed |
| US-20110201496-A1 | Substituted 5-Hetaryl-4-Aminopyrimidines | BASF AKTIENGESELLSCHAFT (DE) | 2011-08-18 | — | — | US | disclosed |
| EP-2010514-B1 | 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES | BASF SE (DE) | 2010-12-29 | — | — | EP | disclosed |
| US-20100093738-A1 | Fungicidal Compounds and Fungicidal Compositions | BASF SE (DE) | 2010-04-15 | — | — | US | disclosed |
| EP-2097412-A2 | FUNGICIDAL N-HETEROARYL-CONDENSED PYRIDINE DERIVATIVES AND FUNGICIDAL COMPOSITIONS | BASF SE (DE) | 2009-09-09 | — | — | EP | disclosed |
| US-20090111692-A1 | 3-(Pyridin-2-Yl)-[1,2,4]-Triazines as Fungicides | BASF AKTIENGESELLSCHAFT (DE) | 2009-04-30 | — | — | US | disclosed |
| US-20090105072-A1 | 2-(Pyridin-2-Yl)-Pyrimidines for Use as Fungicides | BASF SE (DE) | 2009-04-23 | — | — | US | disclosed |
| WO-2009007187-A1 | SUBSTITUTED 5-HETARYLPYRIMIDINES | BASF SE (DE) | 2009-01-15 | — | — | WO | disclosed |
| US-20030181720-A1 | Preparation of triazoles by organometallic addition to ketones and intermediates therefor | BUTTERS MICHAEL (GB) | 2003-09-25 | — | — | US | disclosed |
| US-6586594-B1 | Reacting 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl) ethanone and 6-(1-bromoethyl)-4-chloro-5-fluoropyrimidine in the presence of zinc, iodine, lewis acids, aprotic solvents and optionally lead to form sterospecific fungicides | PFIZER, INC. | 2003-07-01 | — | — | US | disclosed |
| CN-1420873-A | Substituted phenyluracils | BAYER AG (DE) | 2003-05-28 | — | — | CN | disclosed |
| EP-1272478-A1 | SUBSTITUTED PHENYLURACILS | Bayer Aktiengesellschaft (DE) | 2003-01-08 | — | — | EP | disclosed |
| US-20020173425-A1 | Substituted phenyluracils | BAYER AKTIENGESELLSCHAFT (DE) | 2002-11-21 | — | — | US | disclosed |
| WO-2001077084-A1 | SUBSTITUTED PHENYLURACILS | BAYER CROPSCIENCE AG (DE) | 2001-10-18 | — | — | WO | disclosed |
| EP-0871625-A1 | PREPARATION OF TRIAZOLES BY ORGANOMETALLIC ADDITION TO KETONES AND INTERMEDIATES THEREFOR | Pfizer Research and Development Company, N.V./S.A. (IE) | 1998-10-21 | — | — | EP | disclosed |
| WO-1997006160-A1 | PREPARATION OF TRIAZOLES BY ORGANOMETALLIC ADDITION TO KETONES AND INTERMEDIATES THEREFOR | PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) | 1997-02-20 | — | — | WO | disclosed |