⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6253119 | 0.80 | — | — | |
| SCHEMBL27951939 | 0.78 | — | — | |
| SCHEMBL2787120 | 0.76 | — | — | |
| SCHEMBL27531667 | 0.74 | — | — | |
| SCHEMBL3422565 | 0.74 | — | — | |
| SCHEMBL18865138 | 0.72 | — | — | |
| SCHEMBL27652128 | 0.72 | — | — | |
| SCHEMBL27732932 | 0.70 | — | — | |
| SCHEMBL11476118 | 0.70 | KCNA4 (0.30) | — | |
| SCHEMBL9176394 | 0.70 | KCNA4 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102317364-B | Coating of hydroxylated surfaces by gas phase grafting | CARLSBERG AS | 2014-07-23 | — | — | CN | disclosed |
| CN-102317364-A | Coating of hydroxylated surfaces by gas phase grafting | CARLSBERG AS | 2012-01-11 | — | — | CN | disclosed |
| CN-101389609-B | Hydantoin-based kinase inhibitors | HOFFMANN LA ROCHE | 2012-01-11 | — | — | CN | disclosed |
| CN-101910145-A | Heterocyclic antiviral compounds | HOFFMANN LA ROCHE | 2010-12-08 | — | — | CN | disclosed |
| CN-101389609-A | Hydantoin-based kinase inhibitors | HOFFMANN LA ROCHE (CH) | 2009-03-18 | — | — | CN | disclosed |