⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1132155 | 0.84 | CES2 (0.30) | — | |
| SCHEMBL28646517 | 0.84 | CES2 (0.30) | — | |
| SCHEMBL29738711 | 0.84 | CES2 (0.30) | — | |
| SCHEMBL3185577 | 0.83 | — | — | |
| SCHEMBL2141511 | 0.79 | — | — | |
| SCHEMBL30213767 | 0.79 | — | — | |
| SCHEMBL29126210 | 0.78 | CA1 (0.30) | — | |
| SCHEMBL31268348 | 0.74 | — | — | |
| SCHEMBL5384820 | 0.71 | CYP3A4 (0.39) | — | |
| SCHEMBL31131009 | 0.71 | AKR1B1 (0.34) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9515274-B2 | Photovoltaic cells | MERCK PATENT GMBH (DE) | 2016-12-06 | — | — | US | disclosed |
| EP-2834861-A2 | HOLE CARRIER LAYER FOR ORGANIC PHOTOVOLTAIC DEVICE | Merck Patent GmbH (DE) | 2015-02-11 | — | — | EP | disclosed |
| US-20140026964-A1 | PHOTOVOLTAIC CELLS | MERCK PATENT GMBH (DE) | 2014-01-30 | — | — | US | disclosed |
| EP-2671269-A1 | PHOTOVOLTAIC CELLS | Merck Patent GmbH (DE) | 2013-12-11 | — | — | EP | disclosed |
| US-20130263925-A1 | Hole Carrier Layer For Organic Photovoltaic Device | MERCK PATENT GMBH (DE) | 2013-10-10 | — | — | US | disclosed |
| WO-2013152275-A2 | HOLE CARRIER LAYER FOR ORGANIC PHOTOVOLTAIC DEVICE | MERCK PATENT GMBH (DE) | 2013-10-10 | — | — | WO | disclosed |
| WO-2012106119-A1 | PHOTOVOLTAIC CELLS | KONARKA TECHNOLOGIES, INC. (US) | 2012-08-09 | — | — | WO | disclosed |