⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3727242 | 0.88 | — | — | |
| SCHEMBL3058128 | 0.88 | SIGMAR1 (0.31) | — | |
| SCHEMBL3050456 | 0.83 | MEN1 (0.36) | — | |
| SCHEMBL25554310 | 0.81 | CYP2C19 (0.30) | — | |
| SCHEMBL1120096 | 0.77 | CA2 (0.50) | — | |
| SCHEMBL24424824 | 0.75 | CA12 (0.44) | — | |
| SCHEMBL3045288 | 0.75 | MEN1 (0.33) | — | |
| SCHEMBL3049878 | 0.75 | MEN1 (0.33) | — | |
| SCHEMBL3050989 | 0.75 | KDM5A (0.32) | — | |
| SCHEMBL19125824 | 0.74 | ALDH1A1 (0.32) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010138423-A1 | CYCLOSPORIN DERIVATIVES FOR TREATING INFLAMMATORY DISEASES AND CONDITIONS | ALLERGAN, INC. (US) | 2010-12-02 | — | — | WO | claimed |
| EP-0948527-B1 | CYCLOSPORIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | AVENTIS PHARMA SA (FR) | 2002-06-05 | — | — | EP | claimed |
| US-8524671-B2 | Cyclosporin derivatives for treating inflammatory diseases and conditions | ALLERGAN, INC (US) | 2013-09-03 | — | — | US | disclosed |
| WO-2010138423-A1 | CYCLOSPORIN DERIVATIVES FOR TREATING INFLAMMATORY DISEASES AND CONDITIONS | ALLERGAN, INC. (US) | 2010-12-02 | — | — | WO | disclosed |
| US-20100305037-A1 | CYCLOSPORIN DERIVATIVES FOR TREATING INFLAMMATORY DISEASES AND CONDITIONS | ALLERGAN, INC. (US) | 2010-12-02 | — | — | US | disclosed |
| EP-0979244-B1 | NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | AVENTIS PHARMA SA (FR) | 2005-03-02 | — | — | EP | disclosed |
| EP-1040121-B1 | NOVEL METHOD FOR PREPARING CYLOSPORIN DERIVATIVES | AVENTIS PHARMA (FR) | 2004-07-21 | — | — | EP | disclosed |
| EP-0948527-B1 | CYCLOSPORIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | AVENTIS PHARMA SA (FR) | 2002-06-05 | — | — | EP | disclosed |
| EP-0979244-A1 | NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | Aventis Pharma S.A. (FR) | 2000-02-16 | — | — | 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 |