⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25027982 | 0.79 | CYP1A2 (0.36) | — | |
| SCHEMBL1500325 | 0.60 | GAA (0.30) | — | |
| SCHEMBL5058579 | 0.49 | GAA (0.35) | — | |
| SCHEMBL8765414 | 0.47 | CYP1A2 (0.32) | — | |
| SCHEMBL9262350 | 0.47 | — | — | |
| SCHEMBL31001032 | 0.37 | CYP1A2 (0.44) | — | |
| SCHEMBL33554 | 0.37 | — | — | |
| SCHEMBL11593301 | 0.37 | — | — | |
| SCHEMBL6718539 | 0.36 | — | — | |
| SCHEMBL31184703 | 0.33 | ALDH1A1 (0.58) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2008288471-A | ORGANIC TRANSISTOR | MITSUI CHEMICALS INC | 2008-11-27 | — | — | JP | disclosed |