⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14073250 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL21926598 | 0.80 | — | — | |
| SCHEMBL21449300 | 0.77 | — | — | |
| SCHEMBL23254810 | 0.76 | PDK2 (0.30) | — | |
| SCHEMBL13849921 | 0.76 | PDK2 (0.31) | — | |
| SCHEMBL11976673 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL18780948 | 0.72 | PDK2 (0.32) | — | |
| SCHEMBL24191151 | 0.72 | TRPM8 (0.38) | — | |
| SCHEMBL13372151 | 0.72 | PDK2 (0.30) | — | |
| SCHEMBL13495097 | 0.72 | PDK2 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9461249-B2 | Compounds for organic electronic devices | MERCK PATENT GMBH (DE) | 2016-10-04 | — | — | US | disclosed |
| US-20150031896-A1 | COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2015-01-29 | — | — | US | disclosed |