⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8215728 | 0.84 | CYP1A2 (0.41) | — | |
| SCHEMBL11274107 | 0.74 | — | — | |
| SCHEMBL3421732 | 0.73 | — | — | |
| SCHEMBL9115571 | 0.71 | — | — | |
| SCHEMBL11358344 | 0.67 | KDM4E (0.30) | — | |
| SCHEMBL28155134 | 0.67 | TSHR (0.45) | — | |
| SCHEMBL15236107 | 0.67 | — | — | |
| SCHEMBL16701285 | 0.67 | — | — | |
| SCHEMBL28126804 | 0.67 | — | — | |
| SCHEMBL8755927 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019203784-A1 | FLUID SETS | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) | 2019-10-24 | — | — | WO | disclosed |