⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18107199 | 1.00 | — | — | |
| SCHEMBL21577761 | 0.82 | — | — | |
| SCHEMBL20112968 | 0.78 | — | — | |
| SCHEMBL18107372 | 0.78 | — | — | |
| SCHEMBL18107352 | 0.78 | — | — | |
| SCHEMBL19248282 | 0.78 | — | — | |
| SCHEMBL18107261 | 0.78 | — | — | |
| SCHEMBL14455200 | 0.78 | — | — | |
| SCHEMBL10036619 | 0.78 | — | — | |
| SCHEMBL24525978 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160067351-A1 | SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES | NOVARTIS AG (CH) | 2016-03-10 | — | — | US | disclosed |
| WO-2015017502-A1 | PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2015-02-05 | — | — | WO | disclosed |