⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL445537 | 0.94 | — | — | |
| Fluoride SCHEMBL28060200 | 0.88 | — | — | |
| Methane SCHEMBL19066266 | 0.85 | TSHR (0.47) | — | |
| SCHEMBL28648819 | 0.85 | DNM1 (0.39) | — | |
| SCHEMBL169284 | 0.84 | — | — | |
| SCHEMBL7794496 | 0.82 | ALDH1A1 (0.39) | — | |
| Hexane SCHEMBL3754301 | 0.81 | TSHR (0.50) | — | |
| Hexane SCHEMBL1525236 | 0.81 | TSHR (0.50) | — | |
| Hexane SCHEMBL17747414 | 0.81 | TSHR (0.50) | — | |
| SCHEMBL154425 | 0.81 | TSHR (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105765010-B | Photo-hardening ink-jet ink, cured film, insulating film, electromagnetic wave shielding material, component and secondary cell | 捷恩智株式会社 | 2019-07-05 | — | — | CN | disclosed |
| CN-105765010-A | Photocurable inkjet ink | 捷恩智株式会社 | 2016-07-13 | — | — | CN | disclosed |