⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20418271 | 0.78 | DRD2 (0.37) | — | |
| SCHEMBL5922194 | 0.61 | — | — | |
| SCHEMBL18388811 | 0.46 | HDAC1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL284626 | 0.40 | — | — | |
| SCHEMBL38753 | 0.35 | — | — | |
| Hydrochloric Acid SCHEMBL891482 | 0.34 | — | — | |
| Hydrogen Peroxide SCHEMBL28126096 | 0.34 | — | — | |
| Hydrochloric Acid SCHEMBL72335 | 0.32 | — | — | |
| Hydrochloric Acid SCHEMBL2575230 | 0.32 | — | — | |
| Hydrochloric Acid SCHEMBL8027943 | 0.32 | CYP3A4 (0.33) | — |
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 3 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 |
| US-20170244049-A1 | ORGANIC LIGHT-EMITTING DIODE MATERIALS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-08-24 | — | — | US | disclosed |