⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19445066 | 0.95 | — | — | |
| SCHEMBL14308890 | 0.93 | — | — | |
| SCHEMBL22694299 | 0.92 | — | — | |
| SCHEMBL18294168 | 0.92 | — | — | |
| SCHEMBL12655588 | 0.91 | — | — | |
| SCHEMBL20036954 | 0.88 | PDK2 (0.30) | — | |
| SCHEMBL13495096 | 0.88 | PDK2 (0.30) | — | |
| SCHEMBL12324880 | 0.88 | — | — | |
| SCHEMBL12187096 | 0.86 | — | — | |
| SCHEMBL13511456 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012079678-A1 | SUBSTITUTED TETRAARYLBENZENES | MERCK PATENT GMBH (DE) | 2012-06-21 | — | — | WO | disclosed |
| WO-2010149259-A2 | CONDUCTING FORMULATION | MERCK PATENT GMBH (DE) | 2010-12-29 | — | — | WO | disclosed |
| WO-2010108579-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2010-09-30 | — | — | WO | disclosed |
| WO-2010012330-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2010-02-04 | — | — | WO | disclosed |