⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16869610 | 0.79 | SLC7A5 (0.34) | — | |
| SCHEMBL16869560 | 0.77 | SLC7A5 (0.41) | — | |
| SCHEMBL16869486 | 0.74 | DPP4 (0.36) | — | |
| SCHEMBL16869597 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL3653982 | 0.74 | ITPR3 (0.31) | — | |
| SCHEMBL4653652 | 0.72 | GBA1 (0.39) | — | |
| SCHEMBL16869505 | 0.71 | LGALS8 (0.33) | — | |
| SCHEMBL16869632 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL3650234 | 0.69 | GBA1 (0.38) | — | |
| SCHEMBL16869472 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015099362-A1 | D-PINITOL PRODRUG AND METHOD FOR PREPARING SAME | 제일약품주식회사 | 2015-07-02 | — | — | WO | disclosed |