⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19861340 | 0.89 | — | — | |
| SCHEMBL19861323 | 0.84 | — | — | |
| SCHEMBL15183759 | 0.81 | — | — | |
| SCHEMBL15187261 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL15187286 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL15183760 | 0.81 | — | — | |
| SCHEMBL16412994 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL19861302 | 0.73 | — | — | |
| SCHEMBL19861336 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL3421028 | 0.70 | ADH1B (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10647747-B2 | Cyclosporin derivatives and uses thereof | S&T GLOBAL INC. (US) | 2020-05-12 | — | — | US | disclosed |
| US-20180105558-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. | 2018-04-19 | — | — | US | disclosed |