⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3071851 | 0.83 | KDM4E (0.60) | — | |
| SCHEMBL20857227 | 0.83 | KDM4E (0.60) | — | |
| SCHEMBL14081821 | 0.81 | — | — | |
| SCHEMBL17485958 | 0.81 | — | — | |
| SCHEMBL4047064 | 0.81 | — | — | |
| SCHEMBL19080649 | 0.80 | KDM4E (0.65) | — | |
| SCHEMBL18756076 | 0.80 | KDM4E (0.65) | — | |
| SCHEMBL24332037 | 0.77 | KDM4E (0.48) | — | |
| SCHEMBL4047066 | 0.75 | — | — | |
| SCHEMBL22841411 | 0.75 | KDM4E (0.71) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5383961-A | Water-soluble sulphur dyes, their preparation and use | CASSELLA AG (DE) | 1995-01-24 | — | — | US | claimed |
| CN-104629700-B | A kind of sulfur elimination for being used to produce water oil well and water-producing gas well | 成都理工大学 | 2018-05-01 | — | — | CN | disclosed |
| US-9012463-B2 | Inhibitors of bruton's tyrosine kinase | PHARMACYCLICS, INC. (US) | 2015-04-21 | — | — | US | disclosed |
| US-20140080844-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS, INC. (US) | 2014-03-20 | — | — | US | disclosed |