⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31339481 | 0.71 | — | — | |
| SCHEMBL21737253 | 0.69 | GABRA1 (0.32) | — | |
| SCHEMBL1629367 | 0.67 | — | — | |
| SCHEMBL21737550 | 0.66 | — | — | |
| SCHEMBL21721641 | 0.66 | — | — | |
| SCHEMBL9178085 | 0.62 | — | — | |
| SCHEMBL6861221 | 0.61 | — | — | |
| SCHEMBL21737602 | 0.61 | — | — | |
| SCHEMBL4944476 | 0.61 | GSK3B (0.33) | — | |
| SCHEMBL1156793 | 0.58 | GPR35 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6676857-B2 | FOR USE AS SEMICONDUCTORS OR CHARGE TRANSPORT MATERIALS IN OPTICAL, ELECTROOPTICAL OR ELECTRONIC DEVICES INCLUDING FIELD EFFECT TRANSISTORS, ELECTROLUMINESCENT, PHOTOVOLTAIC AND SENSOR DEVICES | MERCK PATENT GESELLSCHAFT MIT (DE) | 2004-01-13 | — | — | US | disclosed |
| US-20030047720-A1 | Mono-, oligo- and poly-4- fluorothiophenes and their use as charge transport materials | MERCK PATENT GMBH (DE) | 2003-03-13 | — | — | US | disclosed |
| EP-1279690-A1 | Mono-oligo- and poly-3-substituted-4-fluorothiophenes and their use as charge transport materials | MERCK PATENT GmbH (DE) | 2003-01-29 | — | — | EP | disclosed |