⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8025833 | 0.97 | — | — | |
| SCHEMBL8260827 | 0.79 | — | — | |
| SCHEMBL8260376 | 0.79 | — | — | |
| SCHEMBL6850696 | 0.79 | — | — | |
| SCHEMBL31019586 | 0.79 | — | — | |
| SCHEMBL20099438 | 0.74 | TDP1 (0.37) | — | |
| SCHEMBL20206908 | 0.74 | TDP1 (0.37) | — | |
| SCHEMBL16542406 | 0.74 | — | — | |
| SCHEMBL13555510 | 0.74 | TDP1 (0.37) | — | |
| SCHEMBL25139840 | 0.72 | GAA (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013028615-A2 | NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS | S&T GOLBAL INC. (US) | 2013-02-28 | — | — | WO | disclosed |
| WO-2012021796-A2 | NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION | S&T GLOBAL, INC. (US) | 2012-02-16 | — | — | WO | disclosed |