⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16843550 | 1.00 | — | — | |
| SCHEMBL14621016 | 0.83 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL9172090 | 0.81 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL114791 | 0.81 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL7180354 | 0.81 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL14994441 | 0.81 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL7187580 | 0.81 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL9171097 | 0.81 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL7178100 | 0.81 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL9171420 | 0.81 | SMN1; SMN2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170037078-A1 | 2' -DISUBSTITUTED NUCLEOSIDE ANALOGS FOR TREATMENT OF THE FLAVIVIRIDAE FAMILY OF VIRUSES AND CANCER | COCRYSTAL PHARMA, INC. (US) | 2017-02-09 | — | — | US | disclosed |
| EP-0153603-B1 | THERMOSETTING RESIN COMPOSITION, CURED PRODUCT, AND PRODUCTION OF CURED PRODUCT | HITACHI, LTD. (JP) | 1992-01-02 | — | — | EP | disclosed |