⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21737534 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL4533453 | 0.67 | LMNA (0.34) | — | |
| SCHEMBL19355006 | 0.60 | — | — | |
| SCHEMBL24094415 | 0.58 | HRH4 (0.33) | — | |
| SCHEMBL252057 | 0.58 | GABRA1 (0.35) | — | |
| SCHEMBL12987427 | 0.57 | GABRA1 (0.34) | — | |
| SCHEMBL17240318 | 0.57 | GSK3B (0.30) | — | |
| SCHEMBL917122 | 0.57 | — | — | |
| SCHEMBL23536244 | 0.57 | CA1 (0.42) | — | |
| SCHEMBL21721322 | 0.57 | CNR2 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1279689-B1 | Mono-, Oligo and Poly-3-(1,1-difluoroalkyl)thiophenes and their use as charge transport materials | MERCK PATENT GMBH (DE) | 2008-10-01 | — | — | EP | disclosed |
| US-6806374-B2 | FIELD EFFECT TRANSISTOR, OLED, ELECTROLUMINESCENT DEVICE, RFID TAG, BACKLIGHT, PHOTOVOLTAIC OR SENSOR DEVICE, OR ELECTROPHOTOGRAPHIC RECORDING DEVICE; SECURITY MARKING; CHARGE INJECTION LAYER, PLANARISING LAYER, ANTISTATIC FILM | MERCK PATENT GMBH (DE) | 2004-10-19 | — | — | US | disclosed |
| US-20030062509-A1 | Mono-, oligo- and poly-3-(1,1-difluoroalkyl)thiophenes and their use as charge transport materials | MERCK PATENT GMBH (DE) | 2003-04-03 | — | — | US | disclosed |
| EP-1279689-A2 | Mono-, Oligo and Poly-3-(1,1-difluoroalkyl)thiophenes and their use as charge transport materials | MERCK PATENT GmbH (DE) | 2003-01-29 | — | — | EP | disclosed |