⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19883138 | 0.88 | — | — | |
| SCHEMBL12808642 | 0.81 | TRPM8 (0.35) | — | |
| SCHEMBL21926598 | 0.79 | — | — | |
| SCHEMBL21226874 | 0.78 | — | — | |
| SCHEMBL29445802 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL133508 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL19987422 | 0.76 | PDK2 (0.32) | — | |
| SCHEMBL16016248 | 0.75 | HCRTR2 (0.34) | — | |
| SCHEMBL21117282 | 0.74 | ESR1 (0.34) | — | |
| SCHEMBL22591498 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2794619-B1 | COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2018-03-14 | — | — | EP | disclosed |
| EP-2875019-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES | MERCK PATENT GMBH (DE) | 2017-03-29 | — | — | EP | disclosed |