⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18261805 | 0.79 | GABRA1 (0.32) | — | |
| SCHEMBL107782 | 0.77 | CYP1A2 (0.37) | — | |
| SCHEMBL7020614 | 0.77 | POLB (0.38) | — | |
| SCHEMBL6522247 | 0.76 | MAPT (0.30) | — | |
| SCHEMBL8026516 | 0.76 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL2031068 | 0.76 | CYP1A2 (0.33) | — | |
| SCHEMBL7882053 | 0.76 | CYP2C19 (0.30) | — | |
| SCHEMBL27649703 | 0.73 | SRC (0.33) | — | |
| SCHEMBL16461022 | 0.72 | PGK1 (0.33) | — | |
| SCHEMBL16910392 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2264040-A1 | Proton-conducting organic materials | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2010-12-22 | — | — | EP | disclosed |
| WO-2010139476-A1 | PROTON-CONDUCTING ORGANIC MATERIALS | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2010-12-09 | — | — | WO | disclosed |