⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7884764 | 1.00 | — | — | |
| SCHEMBL25898786 | 0.79 | — | — | |
| SCHEMBL23901073 | 0.76 | — | — | |
| SCHEMBL27320139 | 0.72 | — | — | |
| SCHEMBL20466521 | 0.72 | — | — | |
| SCHEMBL8268083 | 0.71 | — | — | |
| SCHEMBL256805 | 0.71 | — | — | |
| SCHEMBL18481418 | 0.68 | — | — | |
| SCHEMBL13151053 | 0.68 | — | — | |
| SCHEMBL19774548 | 0.67 | HTT (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017007505-A1 | POLYMERIC AMINE SYNERGIST COMPOSITIONS | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) | 2017-01-12 | — | — | WO | disclosed |
| EP-0999835-B1 | IMIDAZOLE DERIVATIVES AS MDR MODULATORS | TAIJI BIOMEDICAL INC (US) | 2009-09-09 | — | — | EP | disclosed |