⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL499693 | 1.00 | — | — | |
| SCHEMBL15145775 | 1.00 | — | — | |
| SCHEMBL28463617 | 0.97 | ALDH1A1 (0.35) | — | |
| SCHEMBL19093851 | 0.97 | — | — | |
| SCHEMBL10776897 | 0.97 | ALDH1A1 (0.35) | — | |
| SCHEMBL2669520 | 0.92 | — | — | |
| SCHEMBL37484 | 0.92 | — | — | |
| SCHEMBL12712 | 0.92 | — | — | |
| SCHEMBL16779785 | 0.90 | ALDH1A1 (0.40) | — | |
| Tetrahydrofuran SCHEMBL7096633 | 0.86 | ALDH1A1 (0.42) | — |
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-9914755-B2 | Cyclosporin derivatives wherein the MeBmt sidechain has been cyclized | ALLERGAN, INC. (US) | 2018-03-13 | — | — | US | disclosed |