⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11406389 | 0.78 | CYP3A4 (0.41) | — | |
| SCHEMBL918736 | 0.72 | CES1 (0.38) | — | |
| SCHEMBL17473830 | 0.71 | CD44 (0.38) | — | |
| SCHEMBL27583790 | 0.71 | — | — | |
| SCHEMBL28458106 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL10820981 | 0.67 | HSD17B10 (0.46) | — | |
| SCHEMBL18885784 | 0.67 | HDAC1 (0.32) | — | |
| SCHEMBL27431563 | 0.67 | HDAC1 (0.32) | — | |
| SCHEMBL27557541 | 0.67 | GAA (0.34) | — | |
| SCHEMBL27565413 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5202444-A | 1L-1,2:5,6-di-O-cyclohexylidene-chiro-inositol derivatives; intermediates for diols and hydroxycarboxylic acids and esters and antibiotics | THE YOKOHAMA RUBBER CO., LTD. (JP) | 1993-04-13 | — | — | US | disclosed |