⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6674179 | 0.82 | — | — | |
| SCHEMBL14881593 | 0.77 | — | — | |
| SCHEMBL1971344 | 0.75 | — | — | |
| SCHEMBL6601699 | 0.73 | — | — | |
| SCHEMBL20981105 | 0.73 | — | — | |
| SCHEMBL1932856 | 0.73 | — | — | |
| SCHEMBL21487894 | 0.73 | — | — | |
| SCHEMBL597046 | 0.71 | NLRP3 (0.50) | — | |
| SCHEMBL29025278 | 0.71 | — | — | |
| SCHEMBL8485859 | 0.69 | ALDH1A1 (0.35) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112533598-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2021-03-19 | — | — | CN | disclosed |
| US-7601726-B2 | Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors | ROCHE PALO ALTO LLC (US) | 2009-10-13 | — | — | US | disclosed |
| CN-101243090-A | P38 MAP kinase inhibitors and methods for using the same | HOFFMANN LA ROCHE (CH) | 2008-08-13 | — | — | CN | disclosed |
| EP-1919913-A2 | P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME | F.HOFFMANN-LA ROCHE AG (CH) | 2008-05-14 | — | — | EP | disclosed |
| US-20070054915-A1 | p38 MAP kinase inhibitors and methods for using the same | ROCHE PALO ALTO LLC | 2007-03-08 | — | — | US | disclosed |
| WO-2007023110-A2 | P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-01 | — | — | WO | disclosed |
| EP-0532693-A1 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-24 | — | — | EP | disclosed |
| US-4211696-A | Disperse monoazo dyestuffs derived from 3,5-dinitro-2-amino thiophene as disazo component and an arylamine coupling component | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-07-08 | — | — | US | disclosed |
| US-3933786-A | Heterocyclic-azo-phenyl compounds containing a styrl group | CIBA-GEIGY AG (CH) | 1976-01-20 | — | — | US | disclosed |