⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27962006 | 0.67 | — | — | |
| SCHEMBL92092 | 0.67 | — | — | |
| SCHEMBL4605068 | 0.67 | — | — | |
| Fluoroacetate SCHEMBL78188 | 0.67 | — | — | |
| SCHEMBL88444 | 0.67 | — | — | |
| Fluoroacetate SCHEMBL5908770 | 0.67 | — | — | |
| SCHEMBL6911543 | 0.67 | — | — | |
| SCHEMBL10035465 | 0.67 | — | — | |
| Fluoroacetate SCHEMBL13651728 | 0.67 | — | — | |
| SCHEMBL4952228 | 0.67 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017015562-A1 | SUBSTITUTED QUINAZOLINE COMPOUNDS AND THEIR USE AS INHIBITORS OF G12C MUTANT KRAS, HRAS AND/OR NRAS PROTEINS | ARAXES PHARMA LLC (US) | 2017-01-26 | — | — | WO | disclosed |
| WO-2016168540-A1 | FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF | ARAXES PHARMA LLC (US) | 2016-10-20 | — | — | WO | disclosed |
| WO-2016164675-A1 | SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF | ARAXES PHARMA LLC (US) | 2016-10-13 | — | — | WO | disclosed |
| WO-2016133935-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. (US) | 2016-08-25 | — | — | WO | disclosed |
| WO-2016049524-A1 | INHIBITORS OF KRAS G12C MUTANT PROTEINS | ARAXES PHARMA LLC (US) | 2016-03-31 | — | — | WO | disclosed |
| WO-2015027222-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. (US) | 2015-02-26 | — | — | WO | disclosed |
| EP-1960324-A1 | METHOD FOR THE PREPARATION OF [18F]FLUOROALKYLHALIDES | Hammersmith Imanet Limited (GB) | 2008-08-27 | — | — | EP | disclosed |
| EP-1010684-B1 | PROCESS FOR PRODUCING 3,4-DIHYDROXY-3-CYCLOBUTENE-1,2-DIONE | KYOWA YUKA KK (JP) | 2008-07-16 | — | — | EP | disclosed |
| WO-2008020691-A1 | A NOVEL PROCESS FOR PREPARING 3-AMINO-5-FLUORO-4-DIALKOXYPENTANOIC ACID ESTER | LG LIFE SCIENCES LTD. (KR) | 2008-02-21 | — | — | WO | disclosed |
| WO-2007067074-A1 | METHOD FOR THE PREPARATION OF [18F]FLUOROALKYLHALIDES | HAMMERSMITH IMANET LIMITED (GB) | 2007-06-14 | — | — | WO | disclosed |
| EP-1676827-A2 | Method for manufacturing 3-alkoxy-2-halogenocyclobutanone derivatives | Kyowa Yuka Co., Ltd. (JP) | 2006-07-05 | — | — | EP | disclosed |
| US-6331653-B1 | Process for producing 3,4-dihydroxy-3-cyclobutene-1,2-dione | KYOWA YUKA CO., LTD. (JP) | 2001-12-18 | — | — | US | disclosed |
| EP-1010684-A1 | PROCESS FOR PRODUCING 3,4-DIHYDROXY-3-CYCLOBUTENE-1,2-DIONE | Kyowa Yuka Co., Ltd. (JP) | 2000-06-21 | — | — | EP | disclosed |