⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10066010 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL21926598 | 0.77 | — | — | |
| SCHEMBL17780834 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL23018689 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL22251588 | 0.71 | TRPM8 (0.41) | — | |
| SCHEMBL2150082 | 0.71 | TSHR (0.42) | — | |
| SCHEMBL20814556 | 0.69 | TRPM8 (0.38) | — | |
| SCHEMBL24191151 | 0.69 | TRPM8 (0.38) | — | |
| SCHEMBL22336635 | 0.68 | ALDH1A1 (0.42) | — | |
| SCHEMBL14646321 | 0.68 | ALDH1A1 (0.39) | — |
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-10510960-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2019-12-17 | — | — | US | disclosed |
| US-20170338414-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-11-23 | — | — | US | disclosed |