⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6844020 | 0.90 | — | — | |
| SCHEMBL18205537 | 0.88 | OPRM1 (0.57) | — | |
| SCHEMBL2470486 | 0.86 | — | — | |
| SCHEMBL2231220 | 0.78 | — | — | |
| SCHEMBL24017046 | 0.76 | OPRM1 (0.50) | — | |
| SCHEMBL308712 | 0.76 | — | — | |
| SCHEMBL7900423 | 0.76 | — | — | |
| SCHEMBL1678165 | 0.76 | DNM1 (0.45) | — | |
| SCHEMBL272998 | 0.76 | OPRM1 (0.50) | — | |
| SCHEMBL11095129 | 0.76 | OPRM1 (0.50) | — |
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 200 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107624113-B | Tetrahydropyridopyrimidines and tetrahydropyridopyridines as inhibitors of HBsAg (HBV surface antigen) and HBV DNA production for the treatment of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2020-10-23 | — | — | CN | claimed |
| CN-107602620-B | Novel iridium-based complexes for ECL | 霍夫曼-拉罗奇有限公司 | 2020-08-28 | — | — | CN | claimed |
| CN-107835813-B | 6, 7-dihydropyrido [2,1-a ] phthalazin-2-ones for the treatment and prevention of hepatitis b virus infections | 豪夫迈·罗氏有限公司 | 2020-04-24 | — | — | CN | claimed |
| CN-107835813-A | For treating and preventing the hepatitis b virus infected new ketone compounds of 6,7 dihydro pyridos [2,1 a] phthalazines 2 | 豪夫迈·罗氏有限公司 | 2018-03-23 | — | — | CN | claimed |
| CN-107624113-A | Tetrahydropyridopyrimidines and tetrahydropyridopyridines as inhibitors of HBsAg (HBV surface antigen) and HBV DNA production for the treatment of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2018-01-23 | — | — | CN | claimed |
| CN-107602620-A | Novel iridium base complex for ECL | 霍夫曼-拉罗奇有限公司 | 2018-01-19 | — | — | CN | claimed |
| CN-104718218-B | Novel iridium basigamy compound for ECL | 霍夫曼-拉罗奇有限公司 | 2017-10-24 | — | — | CN | claimed |
| CN-104797587-B | Novel iridium-based complexes for ECL | 霍夫曼-拉罗奇有限公司 | 2017-10-10 | — | — | CN | claimed |
| CN-104822696-B | Novel iridium basigamy compound for ECL | 霍夫曼-拉罗奇有限公司 | 2017-09-22 | — | — | CN | claimed |
| CN-104769077-B | Novel iridium basigamy compound for ECL | 霍夫曼-拉罗奇有限公司 | 2017-08-08 | — | — | CN | claimed |
| US-20150147751-A1 | NEW IRIDIUM-BASED COMPLEXES FOR ECL | WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) | 2015-05-28 | — | — | US | claimed |
| US-20150147752-A1 | NEW IRIDIUM-BASED COMPLEXES FOR ECL | WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) | 2015-05-28 | — | — | US | claimed |
| US-20150140682-A1 | IRIDIUM-BASED COMPLEXES FOR ECL | WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) | 2015-05-21 | — | — | US | claimed |
| WO-2014019710-A1 | NEW BIS-IRIDIUM-COMPLEXES FOR MANUFACTURING OF ECL-LABELS | ROCHE DIAGNOSTICS GMBH (DE) | 2014-02-06 | — | — | WO | claimed |
| WO-2014019709-A2 | NEW IRIDIUM-BASED COMPLEXES FOR ECL | ROCHE DIAGNOSTICS GMBH (DE) | 2014-02-06 | — | — | WO | claimed |
| WO-2014019707-A2 | NEW IRIDIUM-BASED COMPLEXES FOR ECL | ROCHE DIAGNOSTICS GMBH (DE) | 2014-02-06 | — | — | WO | claimed |
| WO-2014019708-A1 | NEW IRIDIUM-BASED COMPLEXES FOR ECL | ROCHE DIAGNOSTICS GMBH (DE) | 2014-02-06 | — | — | WO | claimed |
| WO-2014019711-A1 | NEW IRIDIUM-BASED COMPLEXES FOR ECL | ROCHE DIAGNOSTICS GMBH (DE) | 2014-02-06 | — | — | WO | claimed |
| EP-1589000-A2 | (R)-Chiral halogenated 1-substitutedamino-(N+1)-alkanols useful for inhibiting cholesteryl ester transfer protein activity | Monsanto Company (US) | 2005-10-26 | — | — | EP | claimed |
| EP-0218323-B1 | 2-PROPADIENYL PENICILLIN DERIVATIVES AND INTERMEDIATES | Baldwin, Jack Edward (GB) | 1991-11-06 | — | — | EP | claimed |