⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13223640 | 0.85 | — | — | |
| SCHEMBL28969701 | 0.76 | — | — | |
| SCHEMBL471969 | 0.73 | — | — | |
| SCHEMBL6300156 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL471976 | 0.69 | SLC22A6 (0.33) | — | |
| SCHEMBL4360725 | 0.69 | — | — | |
| SCHEMBL482641 | 0.69 | — | — | |
| SCHEMBL3167705 | 0.69 | — | — | |
| SCHEMBL941351 | 0.69 | — | — | |
| SCHEMBL11527926 | 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 |
|---|---|---|---|---|---|---|---|
| CN-105693578-B | Double isocyanate derivatives of a kind of pair of acyl group and its preparation method and application | 中南大学 | 2017-08-04 | — | — | CN | disclosed |
| CN-105693578-A | Dicapryloyl diisothiocyanate derivative and preparing method and application thereof | 中南大学 | 2016-06-22 | — | — | CN | disclosed |