⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3050989 | 0.87 | KDM5A (0.32) | — | |
| SCHEMBL3051346 | 0.83 | KDM5A (0.42) | — | |
| SCHEMBL3046229 | 0.83 | KDM5A (0.38) | — | |
| SCHEMBL1120257 | 0.78 | — | — | |
| SCHEMBL3724851 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL20099572 | 0.74 | — | — | |
| SCHEMBL3054024 | 0.74 | DRD3 (0.37) | — | |
| SCHEMBL3050142 | 0.74 | SIGMAR1 (0.36) | — | |
| SCHEMBL8023238 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL3760709 | 0.74 | CA12 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2280989-A2 | CYCLOSPORIN ANALOGS AND THEIR USE IN THE TREATMENT OF HCV INFECTIONS | Scynexis, Inc. (US) | 2011-02-09 | — | — | EP | claimed |
| EP-0951474-A1 | NOVEL CYCLOSPORIN DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Aventis Pharma S.A. (FR) | 1999-10-27 | — | — | EP | claimed |
| WO-1998028330-A1 | NOVEL CYCLOSPORIN DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | RHONE-POULENC RORER S.A. (FR) | 1998-07-02 | — | — | WO | claimed |
| EP-0979244-A1 | NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | Aventis Pharma S.A. (FR) | 2000-02-16 | — | — | EP | disclosed |
| EP-0951474-A1 | NOVEL CYCLOSPORIN DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Aventis Pharma S.A. (FR) | 1999-10-27 | — | — | EP | disclosed |
| EP-0948527-A1 | CYCLOSPORIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Aventis Pharma S.A. (FR) | 1999-10-13 | — | — | EP | disclosed |
| WO-1998049193-A1 | NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | RHONE-POULENC RORER S.A. (FR) | 1998-11-05 | — | — | WO | disclosed |
| WO-1998028330-A1 | NOVEL CYCLOSPORIN DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | RHONE-POULENC RORER S.A. (FR) | 1998-07-02 | — | — | WO | disclosed |
| WO-1998028329-A1 | CYCLOSPORIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | RHONE-POULENC RORER S.A. (FR) | 1998-07-02 | — | — | WO | disclosed |