⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1162939 | 0.97 | — | — | |
| SCHEMBL5535740 | 0.74 | — | — | |
| SCHEMBL5928592 | 0.72 | — | — | |
| SCHEMBL2009602 | 0.72 | — | — | |
| SCHEMBL28856046 | 0.67 | — | — | |
| SCHEMBL3356550 | 0.67 | — | — | |
| SCHEMBL1827780 | 0.59 | — | — | |
| SCHEMBL2004962 | 0.59 | — | — | |
| SCHEMBL1426403 | 0.52 | — | — | |
| Urea SCHEMBL411583 | 0.48 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104245698-B | Nitrogen-containing heterocyclic compound | TAKEDA PHARMACEUTICAL CO.,LTD. (JP) | 2016-11-30 | — | — | CN | claimed |
| CN-102725291-B | Bicyclic pyridine and relevant analog as Sirtuin regulator | 西特里斯药业公司 | 2016-12-21 | — | — | CN | disclosed |
| CN-104245698-B | Nitrogen-containing heterocyclic compound | TAKEDA PHARMACEUTICAL CO.,LTD. (JP) | 2016-11-30 | — | — | CN | disclosed |
| CN-106029076-A | Benzopiperazine compositions as BET bromodomain inhibitors | 福马疗法公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-101522687-A | Heterobicyclic thiophene compounds and methods of use | ARRAY BIOPHARMA INC (US) | 2009-09-02 | — | — | CN | disclosed |
| CN-101437820-A | Heterobicyclic pyrazole compounds and methods of use | ARRAY BIOPHARMA INC (US) | 2009-05-20 | — | — | CN | disclosed |
| WO-2008116816-A1 | COMBINATION OF CB2 LIGAND AND PARACETAMOL | GLAXO GROUP LIMITED (GB) | 2008-10-02 | — | — | WO | disclosed |
| CN-1492874-A | Macrolide antibiotics | — | 2004-04-28 | — | — | CN | disclosed |
| EP-1187820-A1 | SUBSTITUTED UREAS | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-20 | — | — | EP | disclosed |
| WO-2001000602-A1 | SUBSTITUTED UREAS | BASF AKTIENGESELLSCHAFT (DE) | 2001-01-04 | — | — | WO | disclosed |
| EP-0963986-A2 | 5,10-Dihydrodipyrido(2,3-b:2,3-e)pyrazine and 5,10-dihydro(2,3-b:3,2-e)pyrazine, process for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1999-12-15 | — | — | EP | disclosed |
| EP-0804427-A1 | LTA4 HYDROLASE INHIBITORS | G.D. SEARLE & CO. (US) | 1997-11-05 | — | — | EP | disclosed |
| WO-1996011192-A1 | LTA4 HYDROLASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-04-18 | — | — | WO | disclosed |