⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21727748 | 0.74 | — | — | |
| SCHEMBL1470978 | 0.71 | — | — | |
| SCHEMBL1473105 | 0.71 | — | — | |
| SCHEMBL13354586 | 0.66 | TDP1 (0.31) | — | |
| SCHEMBL1473070 | 0.65 | — | — | |
| SCHEMBL15462912 | 0.63 | — | — | |
| SCHEMBL1451276 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL11664747 | 0.63 | — | — | |
| SCHEMBL8037710 | 0.63 | — | — | |
| Bromide SCHEMBL8037375 | 0.61 | — | — |
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-2019178166-A1 | AMPHIPHILIC THIOL COMPOUNDS AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2019-09-19 | — | — | WO | disclosed |