⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12808916 | 0.78 | — | — | |
| SCHEMBL464757 | 0.78 | — | — | |
| SCHEMBL7875953 | 0.75 | — | — | |
| SCHEMBL7927575 | 0.75 | — | — | |
| SCHEMBL5326446 | 0.73 | — | — | |
| SCHEMBL3641102 | 0.71 | — | — | |
| SCHEMBL4820540 | 0.71 | — | — | |
| SCHEMBL18380933 | 0.71 | — | — | |
| SCHEMBL13450220 | 0.71 | — | — | |
| SCHEMBL11286898 | 0.69 | — | — |
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-9679950-B2 | Organic el display device | JAPAN DISPLAY INC. (JP) | 2017-06-13 | — | — | US | disclosed |
| WO-2016202894-A1 | METHOD OF CONVERTING ALCOHOL TO HALIDE | UNIVERSITAET DES SAARLANDES (DE) | 2016-12-22 | — | — | WO | disclosed |