⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3596789 | 0.79 | HRH4 (0.37) | — | |
| SCHEMBL238451 | 0.78 | KDM4E (0.34) | — | |
| SCHEMBL5495057 | 0.74 | KDM4E (0.33) | — | |
| Hydrochloric Acid SCHEMBL13859413 | 0.74 | KDM4E (0.38) | — | |
| SCHEMBL7967673 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL7967195 | 0.73 | — | — | |
| SCHEMBL603942 | 0.72 | — | — | |
| SCHEMBL5839106 | 0.72 | HRH4 (0.39) | — | |
| SCHEMBL7834390 | 0.72 | HRH4 (0.43) | — | |
| Hydrochloric Acid SCHEMBL6661072 | 0.72 | KDM4E (0.32) | — |
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 144 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3191471-B1 | 4,5-DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBVIE DEUTSCHLAND (DE) | 2020-03-11 | — | — | EP | disclosed |
| EP-2780026-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2019-10-23 | — | — | EP | disclosed |
| US-20190290645-A1 | Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy | AbbVie Deutschland GmbH & Co. KG (DE) | 2019-09-26 | — | — | US | disclosed |
| US-20190290632-A1 | Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy | AbbVie Deutschland GmbH & Co. KG (DE) | 2019-09-26 | — | — | US | disclosed |
| EP-3057958-B1 | AMINOTETRALINE AND AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBVIE DEUTSCHLAND (DE) | 2019-05-01 | — | — | EP | disclosed |
| EP-2970215-B1 | PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBVIE DEUTSCHLAND (DE) | 2019-04-17 | — | — | EP | disclosed |
| EP-2814810-B1 | ISOINDOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBVIE DEUTSCHLAND (DE) | 2018-12-19 | — | — | EP | disclosed |
| EP-3356012-A1 | AMINE COMPOUNDS FOR SELECTIVELY REMOVING HYDROGEN SULPHIDE | BASF SE (DE) | 2018-08-08 | — | — | EP | disclosed |
| EP-3356015-A2 | METHOD FOR THE SELECTIVE REMOVAL OF HYDROGEN SULFIDE | BASF SE (DE) | 2018-08-08 | — | — | EP | disclosed |
| EP-3191471-A1 | 4,5-DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | AbbVie Deutschland GmbH & Co. KG (DE) | 2017-07-19 | — | — | EP | disclosed |
| WO-1998007425-A1 | IMIDAZOLE COMPOUNDS, COMPOSITIONS AND USE | SMITHKLINE BEECHAM CORPORATION (US) | 1998-02-26 | — | — | WO | disclosed |
| WO-1997035856-A1 | NOVEL TREATMENT FOR CNS INJURIES | SMITHKLINE BEECHAM CORPORATION (US) | 1997-10-02 | — | — | WO | disclosed |
| WO-1997033883-A1 | NOVEL PYRIMIDINE COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES | SMITHKLINE BEECHAM CORPORATION (US) | 1997-09-18 | — | — | WO | disclosed |
| WO-1997032583-A1 | USE OF CSAIDTM COMPOUNDS AS INHIBITORS OF ANGIOGENESIS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-09-12 | — | — | WO | disclosed |
| WO-1997025047-A1 | NOVEL CYCLOALKYL SUBSTITUDED IMIDAZOLES | SMITHKLINE BEECHAM CORPORATION (US) | 1997-07-17 | — | — | WO | disclosed |
| US-5602074-A | HERBICIDES; PLANT DESICCATION, DEFOLIATION | BASF AKTIENGESELLSCHAFT (DE) | 1997-02-11 | — | — | US | disclosed |
| EP-0641321-A1 | SUBSTITUTED ISOINDOLONES | BASF Aktiengesellschaft (DE) | 1995-03-08 | — | — | EP | disclosed |
| EP-0637298-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF Aktiengesellschaft (DE) | 1995-02-08 | — | — | EP | disclosed |
| WO-1993024456-A1 | SUBSTITUTED ISOINDOLONES | BASF AKTIENGESELLSCHAFT (DE) | 1993-12-09 | — | — | WO | disclosed |
| WO-1993022280-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF AKTIENGESELLSCHAFT (DE) | 1993-11-11 | — | — | WO | disclosed |