⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10028136 | 0.81 | NPC1 (0.33) | — | |
| SCHEMBL10028240 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL10028099 | 0.68 | NPC1 (0.33) | — | |
| SCHEMBL10028097 | 0.68 | NPC1 (0.40) | — | |
| SCHEMBL10028228 | 0.67 | CA2 (0.38) | — | |
| SCHEMBL10028076 | 0.67 | NPC1 (0.33) | — | |
| SCHEMBL10028100 | 0.65 | L3MBTL1 (0.34) | — | |
| SCHEMBL10028084 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL17304507 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL10028083 | 0.64 | ALDH1A1 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2046915-B1 | NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2015-12-02 | — | — | EP | disclosed |
| US-8114531-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2012-02-14 | — | — | US | disclosed |
| US-8114531-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2012-02-14 | — | — | US | disclosed |
| US-20100013381-A1 | NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2010-01-21 | — | — | US | disclosed |
| US-20100013381-A1 | NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2010-01-21 | — | — | US | disclosed |
| WO-2008011964-A1 | NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2008-01-31 | — | — | WO | disclosed |