⚠ 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 SCHEMBL11853988 | 0.92 | — | — | |
| SCHEMBL16704239 | 0.82 | — | — | |
| SCHEMBL6125443 | 0.78 | CTDSP1 (0.33) | — | |
| SCHEMBL11853978 | 0.74 | CA2 (0.40) | — | |
| SCHEMBL714279 | 0.74 | CHRM2 (0.31) | — | |
| SCHEMBL459990 | 0.74 | TDP1 (0.39) | — | |
| SCHEMBL10373652 | 0.74 | — | — | |
| SCHEMBL9597464 | 0.74 | CHRM2 (0.31) | — | |
| SCHEMBL7892946 | 0.72 | HMOX1 (0.30) | — | |
| SCHEMBL28530332 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0885192-B8 | DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN- ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVE, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS | US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) | 2012-05-16 | — | — | EP | claimed |
| US-6066642-A | FOR SELECTIVELY BLOCKING THE A3 ADENOSINE RECEPTOR OF A MAMMAL | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2000-05-23 | — | — | US | claimed |
| EP-0885192-A1 | DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN- ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVE, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) | 1998-12-23 | — | — | EP | claimed |
| WO-1997027177-A2 | DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN-4-ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1997-07-31 | — | — | WO | claimed |
| US-3948953-A | SULFATION | TEXACO INC. (US) | 1976-04-06 | — | — | US | claimed |
| JP-62226947-A | — | — | None | — | — | JP | disclosed |
| JP-S62226947-A | MONOGLYCERIDE OF HIGHLY UNSATURATED HIGHER FATTY ACID AND PRODUCTION THEREOF | NISSHIN FLOUR MILLING CO LTD | 1987-10-05 | — | — | JP | disclosed |
| US-3948953-A | SULFATION | TEXACO INC. (US) | 1976-04-06 | — | — | US | disclosed |