⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17149137 | 0.77 | GABRA1 (0.33) | — | |
| SCHEMBL17149192 | 0.74 | NOS3 (0.33) | — | |
| SCHEMBL17149140 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL17149149 | 0.74 | — | — | |
| SCHEMBL17149153 | 0.70 | TACR1 (0.34) | — | |
| SCHEMBL18973872 | 0.69 | CYP2D6 (0.42) | — | |
| SCHEMBL14707866 | 0.69 | RAPGEF4 (0.36) | — | |
| SCHEMBL20734676 | 0.67 | ACHE (0.42) | — | |
| SCHEMBL22856969 | 0.67 | ACE (0.47) | — | |
| SCHEMBL17149159 | 0.66 | LMNA (0.37) | — |
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-9815997-B2 | Organic electroluminescence device and ink composition | IDEMITSU KOSAN CO., LTD. (JP) | 2017-11-14 | — | — | US | disclosed |
| US-20150284580-A1 | ORGANIC ELECTROLUMINESCENCE DEVICE AND INK COMPOSITION | IDEMITSU KOSAN CO., LTD. (JP) | 2015-10-08 | — | — | US | disclosed |