⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15314480 | 1.00 | — | — | |
| SCHEMBL14747926 | 0.78 | — | — | |
| SCHEMBL3611735 | 0.78 | — | — | |
| SCHEMBL8757826 | 0.78 | — | — | |
| SCHEMBL3455746 | 0.76 | — | — | |
| SCHEMBL8258133 | 0.76 | — | — | |
| SCHEMBL20284520 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL25437268 | 0.76 | — | — | |
| Bromide SCHEMBL7065185 | 0.74 | — | — | |
| Cyclopropane SCHEMBL11122692 | 0.74 | ALDH1A1 (0.36) | — |
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-2022099209-A1 | BIO-FUNCTIONALIZATION OF WATER-SOLUBLE POLY(PHENYLENE ETHYNYLENE)S | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2022-05-12 | — | — | WO | disclosed |