⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13529151 | 0.96 | — | — | |
| SCHEMBL9890199 | 0.93 | NCOA1 (0.32) | — | |
| SCHEMBL9890576 | 0.92 | PDE4D (0.31) | — | |
| SCHEMBL9890456 | 0.91 | — | — | |
| SCHEMBL21610882 | 0.91 | MAOA (0.33) | — | |
| SCHEMBL9890131 | 0.90 | CYP1A2 (0.31) | — | |
| SCHEMBL9890446 | 0.89 | MAPT (0.35) | — | |
| SCHEMBL9890381 | 0.89 | CYP1A2 (0.31) | — | |
| SCHEMBL9890455 | 0.89 | AHR (0.30) | — | |
| SCHEMBL9890449 | 0.89 | PDE4D (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130020563-A1 | POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME | IDEMITSU KOSAN CO., LTD. (JP) | 2013-01-24 | — | — | US | disclosed |
| US-20130020563-A1 | POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME | IDEMITSU KOSAN CO., LTD. (JP) | 2013-01-24 | — | — | US | disclosed |
| US-20120138915-A1 | ORGANIC ELECTROLUMINESCENCE DEVICE | IDEMITSU KOSAN CO., LTD. (JP) | 2012-06-07 | — | — | US | disclosed |
| US-20120138915-A1 | ORGANIC ELECTROLUMINESCENCE DEVICE | IDEMITSU KOSAN CO., LTD. (JP) | 2012-06-07 | — | — | US | disclosed |