⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31124153 | 0.80 | MAPT (0.41) | — | |
| SCHEMBL29906426 | 0.76 | EPHX2 (0.38) | — | |
| SCHEMBL4706201 | 0.76 | — | — | |
| SCHEMBL1732863 | 0.76 | — | — | |
| SCHEMBL27452820 | 0.75 | MAPT (0.41) | — | |
| SCHEMBL3750450 | 0.75 | EPHX2 (0.44) | — | |
| SCHEMBL171777 | 0.73 | — | — | |
| SCHEMBL12489952 | 0.72 | NOTUM (0.41) | — | |
| SCHEMBL12489570 | 0.72 | DAO (0.33) | — | |
| SCHEMBL27499888 | 0.72 | MAPT (0.39) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4100005-A1 | ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF | Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) | 2022-12-14 | — | — | EP | disclosed |
| WO-2022210479-A1 | USE OF AZEPANE DERIVATIVE FOR TREATMENT, AMELIORATION OR PREVENTION OF κ-OPIOID RECEPTOR-RELATED DISEASES | 日本ケミファ株式会社 | 2022-10-06 | — | — | WO | disclosed |
| WO-2021158626-A1 | ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF | Eternity Bioscience Inc. (US) | 2021-08-12 | — | — | WO | disclosed |
| EP-3317286-A1 | CYCLIZED SULFAMOYLARYLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B | Janssen Sciences Ireland UC (IE) | 2018-05-09 | — | — | EP | disclosed |
| WO-2017001655-A1 | CYCLIZED SULFAMOYLARYLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B | JANSSEN SCIENCES IRELAND UC (IE) | 2017-01-05 | — | — | WO | disclosed |
| EP-2797915-A1 | 2 - BENZYL, 3 - (PYRIMIDIN- 2 -YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS | Ironwood Pharmaceuticals, Inc. (US) | 2014-11-05 | — | — | EP | disclosed |
| EP-2686314-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-22 | — | — | EP | disclosed |
| WO-2013101830-A1 | 2 - BENZYL, 3 - (PYRIMIDIN- 2 -YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2013-07-04 | — | — | WO | disclosed |
| WO-2012123522-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | WO | disclosed |
| EP-2315751-A1 | ALKYNYL ALCOHOLS AS KINASE INHIBITORS | Amgen Inc. (US) | 2011-05-04 | — | — | EP | disclosed |
| WO-2009158011-A1 | ALKYNYL ALCOHOLS AS KINASE INHIBITORS | AMGEN INC. (US) | 2009-12-30 | — | — | WO | disclosed |