⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4455591 | 0.76 | — | — | |
| SCHEMBL12138872 | 0.73 | — | — | |
| SCHEMBL24161202 | 0.73 | — | — | |
| SCHEMBL460243 | 0.72 | GDA (0.42) | — | |
| SCHEMBL9918618 | 0.71 | GDA (0.41) | — | |
| SCHEMBL5158005 | 0.70 | — | — | |
| SCHEMBL52380 | 0.70 | CYP2C19 (0.48) | — | |
| SCHEMBL9193365 | 0.70 | KDM4E (0.58) | — | |
| SCHEMBL18838194 | 0.70 | PARP1 (0.42) | — | |
| SCHEMBL21393631 | 0.69 | GDA (0.43) | — |
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-20120149662-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| US-20120149662-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| WO-2011031554-A2 | HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2011-03-17 | — | — | WO | disclosed |
| US-20100008874-A1 | SUBSTITUTED PYRIMIDINES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS EFFECTIVE ABSORBENTS OF UV IRRADIATION | YISSUM RESEARCH DEVELOPMENT COMPANY (IL) | 2010-01-14 | — | — | US | disclosed |