⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL144134 | 0.74 | — | — | |
| Bicarbonate SCHEMBL2955662 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL28796781 | 0.70 | — | — | |
| SCHEMBL27450269 | 0.70 | — | — | |
| SCHEMBL27605753 | 0.70 | — | — | |
| Bicarbonate SCHEMBL29076187 | 0.68 | FFAR3 (0.40) | — | |
| SCHEMBL1020286 | 0.67 | — | — | |
| SCHEMBL18324387 | 0.67 | — | — | |
| SCHEMBL1286425 | 0.67 | — | — | |
| SCHEMBL19302537 | 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 |
|---|---|---|---|---|---|---|---|
| CN-1680229-A | Preparation of 1,3-diacetylene benzene | HUADONG SCIENCE & ENGINEERING (CN) | 2005-10-12 | — | — | CN | claimed |
| US-20120094948-A1 | Analogous Compounds of 6-Thioguanosine Triphosphate, their use in Medical Fields and Processes for their Preparation | GIULIANI INTERNATIONAL LIMITED | 2012-04-19 | — | — | US | disclosed |
| US-20080214722-A1 | Coating Agent With High Abrasion Resistance Method For Production And Application Thereof | CELANESE EMULSIONS GMBH (DE) | 2008-09-04 | — | — | US | disclosed |
| US-20070066633-A1 | Quinazoline compounds | ASTRAZENECA AB | 2007-03-22 | — | — | US | disclosed |
| US-7160889-B2 | Quinazoline compounds | ASTRAZENECA AB (SE) | 2007-01-09 | — | — | US | disclosed |
| EP-1274692-B1 | QUINAZOLINE COMPOUNDS | ASTRAZENECA AB (SE) | 2006-08-02 | — | — | EP | disclosed |
| CN-1680229-A | Preparation of 1,3-diacetylene benzene | HUADONG SCIENCE & ENGINEERING (CN) | 2005-10-12 | — | — | CN | disclosed |
| US-20030191308-A1 | Quinazoline compounds | ASTRAZENECA AB (SE) | 2003-10-09 | — | — | US | disclosed |
| WO-2003043548-A1 | VISCO DYE | VISCO DYE APS (DK) | 2003-05-30 | — | — | WO | disclosed |
| EP-1274692-A1 | QUINAZOLINE COMPOUNDS | AstraZeneca AB (SE) | 2003-01-15 | — | — | EP | disclosed |
| US-6329027-B1 | Chlorobenzene derivatives, liquid-crystal composition, and liquid-crystal display elements | CHISSO CORPORATION (JP) | 2001-12-11 | — | — | US | disclosed |
| WO-2001077085-A1 | QUINAZOLINE COMPOUNDS | ASTRAZENECA AB (SE) | 2001-10-18 | — | — | WO | disclosed |
| EP-0959060-A1 | CHLOROBENZENE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENTS | CHISSO CORPORATION (JP) | 1999-11-24 | — | — | EP | disclosed |