⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15910085 | 0.72 | TDP2 (0.32) | — | |
| SCHEMBL14791103 | 0.68 | — | — | |
| SCHEMBL57098 | 0.60 | TDP2 (0.35) | — | |
| SCHEMBL12440737 | 0.58 | TDP2 (0.33) | — | |
| SCHEMBL14791105 | 0.57 | DUSP3 (0.44) | — | |
| SCHEMBL14791104 | 0.56 | — | — | |
| SCHEMBL8433530 | 0.56 | ALDH1A1 (0.33) | — | |
| Duroquinone SCHEMBL58325 | 0.56 | MAOA (0.38) | — | |
| Duroquinone SCHEMBL11473070 | 0.53 | MAOA (0.36) | — | |
| SCHEMBL10486657 | 0.53 | MAOA (0.36) | — |
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-8501801-B2 | Organic semiconductor compound, semiconductor element, solar battery, and process for producing organic semiconductor compound | NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) | 2013-08-06 | — | — | US | disclosed |
| US-20110040106-A1 | ORGANIC SEMICONDUCTOR COMPOUND, SEMICONDUCTOR ELEMENT, SOLAR BATTERY, AND PROCESS FOR PRODUCING ORGANIC SEMICONDUCTOR COMPOUND | THE UNIVERSITY OF TOKYO (JP) | 2011-02-17 | — | — | US | disclosed |