⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2375245 | 0.88 | — | — | |
| SCHEMBL2528409 | 0.81 | MAOA (0.31) | — | |
| SCHEMBL3450884 | 0.81 | HTR2A (0.30) | — | |
| SCHEMBL3079512 | 0.81 | TLR8 (0.37) | — | |
| SCHEMBL9312270 | 0.81 | HIF1A (0.33) | — | |
| SCHEMBL11863151 | 0.79 | SIGMAR1 (0.32) | — | |
| SCHEMBL5204944 | 0.78 | — | — | |
| SCHEMBL5207134 | 0.77 | CYP1A2 (0.35) | — | |
| SCHEMBL5207397 | 0.77 | EPHX2 (0.35) | — | |
| SCHEMBL5202026 | 0.77 | HIF1A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110226992-A1 | ORGANIC ELECTROLUMINESCENT MATERIAL COMPOSITIONS | IDEMITSU KOSAN CO., LTD. | 2011-09-22 | — | — | US | disclosed |
| US-20110220886-A1 | ORGANIC ELECTROLUMINESCENCE MATERIAL COMPOSITION, THIN FILM FORMATION METHOD, AND ORGANIC ELECTROLUMINESCENCE ELEMENT | IDEMITSU KOSAN CO., LTD. (JP) | 2011-09-15 | — | — | US | disclosed |