⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17432039 | 0.76 | — | — | |
| SCHEMBL20002231 | 0.75 | EPHX1 (0.34) | — | |
| SCHEMBL11819068 | 0.72 | CES2 (0.42) | — | |
| SCHEMBL11819065 | 0.72 | CES2 (0.42) | — | |
| SCHEMBL20599593 | 0.70 | TP53 (0.41) | — | |
| SCHEMBL11821390 | 0.70 | CES2 (0.46) | — | |
| SCHEMBL11821386 | 0.70 | CES2 (0.46) | — | |
| SCHEMBL10987145 | 0.70 | CES2 (0.46) | — | |
| SCHEMBL587891 | 0.69 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL11888155 | 0.69 | ACE (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105264648-A | Composition for forming gate insulating film, organic thin film transistor, electronic paper, and display device | FUJIFILM CORP | 2016-01-20 | — | — | CN | disclosed |
| CN-105229814-A | Organic semiconductor composition, OTFT and Electronic Paper and display unit | FUJIFILM CORP | 2016-01-06 | — | — | CN | disclosed |
| CN-105229813-A | Organic semiconductor composition, organic thin film transistor, electronic paper, and display device | FUJIFILM CORP | 2016-01-06 | — | — | CN | disclosed |