⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13410220 | 0.87 | MEN1 (0.32) | — | |
| SCHEMBL13410257 | 0.86 | MEN1 (0.31) | — | |
| SCHEMBL2592980 | 0.85 | DPP4 (0.33) | — | |
| SCHEMBL18045604 | 0.84 | GPR35 (0.33) | — | |
| SCHEMBL12913130 | 0.84 | GPR35 (0.33) | — | |
| SCHEMBL13410118 | 0.83 | — | — | |
| SCHEMBL18090330 | 0.82 | DPP4 (0.32) | — | |
| SCHEMBL10819415 | 0.82 | TYR (0.35) | — | |
| SCHEMBL10164725 | 0.82 | TYR (0.35) | — | |
| SCHEMBL85811 | 0.82 | TYR (0.35) | — |
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-8441002-B2 | Organic semiconductor composite, organic transistor material and organic field effect transistor | TORAY INDUSTRIES, INC. (JP) | 2013-05-14 | — | — | US | disclosed |
| US-20100102299-A1 | ORGANIC SEMICONDUCTOR COMPOSITE, ORGANIC TRANSISTOR MATERIAL AND ORGANIC FIELD EFFECT TRANSISTOR | TORAY INDUSTRIES, INC. (JP) | 2010-04-29 | — | — | US | disclosed |