⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18821091 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL28025459 | 0.66 | — | — | |
| SCHEMBL7372473 | 0.63 | — | — | |
| SCHEMBL7776517 | 0.57 | — | — | |
| SCHEMBL22469849 | 0.55 | FUCA1 (0.35) | — | |
| SCHEMBL22469160 | 0.55 | FUCA1 (0.35) | — | |
| SCHEMBL5496576 | 0.55 | — | — | |
| SCHEMBL2703533 | 0.54 | — | — | |
| SCHEMBL3997440 | 0.54 | — | — | |
| SCHEMBL8135885 | 0.54 | — | — |
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-20200321533-A1 | COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS | THE SCRIPPS RESEARCH INSTITUTE | 2020-10-08 | — | — | US | disclosed |
| US-20180212158-A1 | ORGANIC LIGHT-EMITTING DIODE MATERIALS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2018-07-26 | — | — | US | disclosed |