⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16373432 | 0.92 | ALDH1A1 (0.48) | — | |
| SCHEMBL12334415 | 0.92 | ALDH1A1 (0.48) | — | |
| SCHEMBL14299861 | 0.85 | CYP2A6 (0.36) | — | |
| SCHEMBL12164046 | 0.85 | RAB9A (0.50) | — | |
| SCHEMBL13050778 | 0.82 | LMNA (0.55) | — | |
| SCHEMBL14615694 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL13894694 | 0.73 | CYP2A6 (0.57) | — | |
| SCHEMBL6903114 | 0.71 | — | — | |
| SCHEMBL18508 | 0.71 | — | — | |
| SCHEMBL12332450 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3106485-B1 | POLYMER OR OLIGOMER, HOLE TRANSPORT MATERIAL COMPOSITION, AND ORGANIC ELECTRONIC ELEMENT USING SAME | HITACHI CHEMICAL CO LTD (JP) | 2020-02-05 | — | — | EP | disclosed |
| EP-1819670-B1 | 12-ARYL PROSTAGLANDIN ANALOGS | ALLERGAN INC (US) | 2012-08-08 | — | — | EP | disclosed |