⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24160877 | 0.79 | PDE2A (0.34) | — | |
| SCHEMBL18788242 | 0.79 | PDE2A (0.34) | — | |
| SCHEMBL26538233 | 0.73 | PDE2A (0.32) | — | |
| SCHEMBL23773309 | 0.73 | PDE2A (0.32) | — | |
| SCHEMBL15257399 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL20380388 | 0.71 | TLR7 (0.32) | — | |
| SCHEMBL19997384 | 0.71 | — | — | |
| SCHEMBL13648927 | 0.70 | PDE2A (0.34) | — | |
| SCHEMBL18788247 | 0.69 | PDE2A (0.35) | — | |
| SCHEMBL19997395 | 0.69 | — | — |
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-20210253622-A1 | 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT | GILEAD SCIENCES, INC. | 2021-08-19 | — | — | US | disclosed |
| US-20170114086-A1 | 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT | GILEAD SCIENCES, INC. | 2017-04-27 | — | — | US | disclosed |