⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18721967 | 0.71 | GABRA1 (0.34) | — | |
| SCHEMBL24924406 | 0.71 | POLB (0.31) | — | |
| SCHEMBL10714638 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9634974 | 0.70 | GABRA1 (0.33) | — | |
| SCHEMBL20209764 | 0.67 | ELANE (0.33) | — | |
| SCHEMBL18391897 | 0.65 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL29505578 | 0.64 | — | — | |
| SCHEMBL24500470 | 0.64 | IKBKB (0.33) | — | |
| SCHEMBL24539184 | 0.64 | — | — | |
| SCHEMBL3821813 | 0.64 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180138428-A1 | METAL-ASSISTED DELAYED FLUORESCENT EMITTERS CONTAINING TRIDENTATE LIGANDS | ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY | 2018-05-17 | — | — | US | disclosed |