⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19593901 | 0.82 | — | — | |
| SCHEMBL18780948 | 0.82 | PDK2 (0.32) | — | |
| SCHEMBL21142022 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL19149741 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL21011049 | 0.75 | — | — | |
| SCHEMBL24191151 | 0.71 | TRPM8 (0.38) | — | |
| SCHEMBL25496568 | 0.70 | PDK2 (0.35) | — | |
| SCHEMBL20085420 | 0.69 | — | — | |
| SCHEMBL25501212 | 0.69 | PDK2 (0.32) | — | |
| SCHEMBL20085415 | 0.68 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3163644-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT | Hodogaya Chemical Co., Ltd. (JP) | 2017-05-03 | — | — | EP | disclosed |