⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19011105 | 0.96 | ALK (0.32) | — | |
| SCHEMBL25121475 | 0.95 | MMP12 (0.31) | — | |
| SCHEMBL19011100 | 0.93 | HCRTR1 (0.32) | — | |
| SCHEMBL20806575 | 0.92 | ALK (0.31) | — | |
| SCHEMBL19010954 | 0.92 | ALK (0.31) | — | |
| SCHEMBL19001874 | 0.91 | ALK (0.30) | — | |
| SCHEMBL22183054 | 0.91 | PRKDC (0.31) | — | |
| SCHEMBL24841233 | 0.91 | ALK (0.33) | — | |
| SCHEMBL27018431 | 0.91 | ALK (0.32) | — | |
| SCHEMBL19167387 | 0.91 | ALK (0.30) | — |
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-3390365-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2021-04-14 | — | — | EP | disclosed |
| WO-2017102063-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | WO | disclosed |