⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19861429 | 0.87 | TSHR (0.30) | — | |
| SCHEMBL12394761 | 0.87 | SIGMAR1 (0.36) | — | |
| SCHEMBL15183480 | 0.85 | CACNA2D1 (0.32) | — | |
| SCHEMBL25096884 | 0.82 | — | — | |
| SCHEMBL15183494 | 0.78 | SIGMAR1 (0.38) | — | |
| SCHEMBL9278295 | 0.78 | CA12 (0.35) | — | |
| SCHEMBL25096883 | 0.77 | SIGMAR1 (0.33) | — | |
| SCHEMBL17523765 | 0.77 | SIGMAR1 (0.37) | — | |
| SCHEMBL15383401 | 0.77 | SIGMAR1 (0.37) | — | |
| SCHEMBL21015388 | 0.77 | SIGMAR1 (0.37) | — |
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 |