⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27747701 | 0.77 | — | — | |
| SCHEMBL20194 | 0.77 | ENPP2 (0.50) | — | |
| SCHEMBL22694011 | 0.75 | ENPP2 (0.38) | — | |
| SCHEMBL17290582 | 0.73 | ENPP2 (0.36) | — | |
| SCHEMBL818508 | 0.69 | HTR6 (0.50) | — | |
| SCHEMBL8390840 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL159760 | 0.67 | PSIP1 (0.58) | — | |
| SCHEMBL3193439 | 0.66 | ALDH1A1 (0.56) | — | |
| SCHEMBL167548 | 0.66 | SMN1; SMN2 (0.58) | — | |
| SCHEMBL517898 | 0.66 | ALDH1A1 (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 |