⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29448509 | 0.81 | — | — | |
| SCHEMBL11876642 | 0.81 | — | — | |
| SCHEMBL84451 | 0.81 | — | — | |
| Water SCHEMBL8524004 | 0.79 | HSP90AA1 (0.41) | — | |
| SCHEMBL28803015 | 0.77 | — | — | |
| SCHEMBL29857995 | 0.77 | — | — | |
| SCHEMBL3718708 | 0.77 | — | — | |
| SCHEMBL21918669 | 0.77 | — | — | |
| SCHEMBL3154891 | 0.77 | — | — | |
| SCHEMBL19413126 | 0.77 | HSP90AA1 (0.39) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103896855-B | The synthetic method of the fluoro-6-chlorine of a kind of 4-(1-bromoethyl)-5-pyrimidine | TECHNOLOGY CENTER OF JUHUA GROUP (CN) | 2016-05-18 | — | — | CN | claimed |
| CN-107381840-A | A kind of environment-friendly type anti-incrustation corrosion inhibitor and preparation method thereof | 钟司雨 | 2017-11-24 | — | — | CN | disclosed |
| CN-103896855-B | The synthetic method of the fluoro-6-chlorine of a kind of 4-(1-bromoethyl)-5-pyrimidine | TECHNOLOGY CENTER OF JUHUA GROUP (CN) | 2016-05-18 | — | — | CN | disclosed |
| CN-103896855-B | The synthetic method of the fluoro-6-chlorine of a kind of 4-(1-bromoethyl)-5-pyrimidine | TECHNOLOGY CENTER OF JUHUA GROUP (CN) | 2016-05-18 | — | — | CN | disclosed |
| CN-103896855-B | The synthetic method of the fluoro-6-chlorine of a kind of 4-(1-bromoethyl)-5-pyrimidine | TECHNOLOGY CENTER OF JUHUA GROUP (CN) | 2016-05-18 | — | — | CN | disclosed |
| US-7193083-B2 | Preparation of triazoles by organometallic addition to ketones and intermediates therefor | PFIZER, INC. (US) | 2007-03-20 | — | — | US | disclosed |
| US-20050272747-A1 | Preparation of triazoles by organometallic addition to ketones and intermediates therefor | PFIZER INC | 2005-12-08 | — | — | US | disclosed |
| US-6946555-B2 | Preparation of triazoles by organometallic addition to ketones and intermediates therefor | PFIZER INC (US) | 2005-09-20 | — | — | US | disclosed |
| EP-0871625-B1 | PREPARATION OF TRIAZOLES BY ORGANOMETALLIC ADDITION TO KETONES AND INTERMEDIATES THEREFOR | PFIZER RES ANDDEVELOPMENT COMP (IE) | 2003-12-17 | — | — | EP | 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 |
| 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 |
| EP-0532054-A1 | Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-17 | — | — | EP | disclosed |
| EP-0040408-A1 | Beta-lactam compounds and process for production thereof | SANRAKU-OCEAN CO., LTD. (JP) | 1981-11-25 | — | — | EP | disclosed |