⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8952528 | 0.73 | — | — | |
| SCHEMBL24312915 | 0.70 | — | — | |
| SCHEMBL8880798 | 0.68 | — | — | |
| SCHEMBL14029055 | 0.67 | — | — | |
| SCHEMBL12322123 | 0.65 | — | — | |
| SCHEMBL990439 | 0.65 | — | — | |
| Bromide SCHEMBL11815339 | 0.64 | — | — | |
| SCHEMBL14029047 | 0.64 | NISCH (0.41) | — | |
| SCHEMBL18592647 | 0.62 | — | — | |
| SCHEMBL18592656 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220096441-A1 | TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS | GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 2022-03-31 | — | — | US | disclosed |
| US-20210130401-A1 | PEPTIDOMIMETIC INHIBITORS OF THE WDR5-MLL INTERACTION | UNIV MICHIGAN REGENTS (US) | 2021-05-06 | — | — | US | disclosed |