⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL314937 | 0.75 | — | — | |
| SCHEMBL15903962 | 0.68 | KMT2A (0.34) | — | |
| SCHEMBL15903781 | 0.68 | POLB (0.42) | — | |
| SCHEMBL2177755 | 0.65 | — | — | |
| SCHEMBL9585 | 0.65 | — | — | |
| SCHEMBL2180649 | 0.60 | — | — | |
| SCHEMBL2041077 | 0.60 | — | — | |
| SCHEMBL14352365 | 0.57 | — | — | |
| SCHEMBL12294410 | 0.56 | — | — | |
| SCHEMBL2238743 | 0.56 | — | — |
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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9018175-B2 | 3,4,4a,10b-Tetrahydro-1H-thiopyrano-[44,3-c] isoquinoline derivatives | TAKEDA GMBH (DE) | 2015-04-28 | — | — | US | claimed |
| EP-2569319-B1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | HOFFMANN LA ROCHE (CH) | 2014-09-24 | — | — | EP | claimed |
| EP-2513119-B1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-C]ISOQUINOLINE DERIVATIVES | TAKEDA GMBH (DE) | 2014-06-25 | — | — | EP | claimed |
| EP-2380898-B1 | Process to make glucocorticoid compounds | GLAXO GROUP LTD (GB) | 2013-08-28 | — | — | EP | claimed |
| US-8513238-B2 | Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes | HOFFMANN-LA ROCHE INC. (US) | 2013-08-20 | — | — | US | claimed |
| EP-2569319-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-03-20 | — | — | EP | claimed |
| EP-1644398-B1 | SPECIFIC GLUCOCORTICOSTEROID COMPOUND HAVING ANTI- INFLAMMATORY ACTIVITY | GLAXO GROUP LTD (GB) | 2013-01-09 | — | — | EP | claimed |
| US-20120289474-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-c] ISOQUINOLINE DERIVATIVES | NYCOMED GMBH (DE) | 2012-11-15 | — | — | US | claimed |
| EP-2513119-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c]ISOQUINOLINE DERIVATIVES | Nycomed GmbH (DE) | 2012-10-24 | — | — | EP | claimed |
| WO-2011141396-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-17 | — | — | WO | claimed |
| US-20110275801-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | HOFFMANN-LA ROCHE, INC. | 2011-11-10 | — | — | US | claimed |
| EP-2380898-A1 | Process to make glucocortisoid compounds | GLAXO GROUP LIMITED (GB) | 2011-10-26 | — | — | EP | claimed |
| WO-2011073231-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c] ISOQUINOLINE DERIVATIVES | NYCOMED GMBH (DE) | 2011-06-23 | — | — | WO | claimed |
| US-4183856-A | FROM HETEROAROMATIC SECONDARY AMINES AND CARBAMOYL HALOGENIDES IN THE PRESENCE OF A LEWIS ACID | SHIONOGI & CO., LTD. (JP) | 1980-01-15 | — | — | US | claimed |
| WO-2023232676-A1 | HERBICIDAL DERIVATIVES | SYNGENTA CROP PROTECTION AG (CH) | 2023-12-07 | — | — | WO | disclosed |
| CN-115916754-A | Heteroaromatic macrocyclic ether chemotherapeutic agents | 纽威伦特公司 | 2023-04-04 | — | — | CN | disclosed |
| US-20220194907-A1 | PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES | SYNGENTA CROP PROTECTION AG (CH) | 2022-06-23 | — | — | US | disclosed |
| EP-0269859-A2 | Pyrazolotriazine compounds | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1988-06-08 | — | — | EP | disclosed |
| CN-87107217-A | Method for preparation of pyrazolotriazine compounds | — | 1988-05-11 | — | — | CN | disclosed |
| EP-0173331-A2 | 2,3-Dihydro-1H-indene derivatives, a process for preparing them and pharmaceutical compositions containing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1986-03-05 | — | — | EP | disclosed |