⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19997905 | 0.76 | APP (0.36) | — | |
| SCHEMBL5951635 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL5952628 | 0.71 | ORAI1 (0.34) | — | |
| SCHEMBL22240810 | 0.70 | APP (0.38) | — | |
| SCHEMBL16158461 | 0.70 | AKR1C3 (0.39) | — | |
| SCHEMBL14825011 | 0.69 | — | — | |
| SCHEMBL22148001 | 0.68 | LIMK1 (0.32) | — | |
| SCHEMBL5952636 | 0.67 | TRPV6 (0.38) | — | |
| SCHEMBL18833188 | 0.65 | CA1 (0.34) | — | |
| SCHEMBL584051 | 0.64 | ALDH1A1 (0.33) | — |
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-2998301-A1 | ORGANIC COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE | Cheil Industries Inc. (KR) | 2016-03-23 | — | — | EP | disclosed |