⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2331298 | 0.62 | — | — | |
| SCHEMBL2394007 | 0.61 | MEN1 (0.33) | — | |
| SCHEMBL9982728 | 0.60 | ALDH1A1 (0.30) | — | |
| SCHEMBL2364331 | 0.58 | — | — | |
| SCHEMBL27255084 | 0.58 | ALDH1A1 (0.33) | — | |
| SCHEMBL2238628 | 0.57 | — | — | |
| SCHEMBL4074072 | 0.56 | — | — | |
| SCHEMBL7223129 | 0.56 | — | — | |
| SCHEMBL7222730 | 0.56 | — | — | |
| SCHEMBL5335218 | 0.56 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10077289-B2 | Cyclosporins modified on the MeBmt sidechain by heterocyclic rings | ALLERGAN, INC. (US) | 2018-09-18 | — | — | US | disclosed |
| EP-3277704-A1 | CYCLOSPORINS MODIFIED ON THE MEBMT SIDECHAIN BY HETEROCYCLIC RINGS | ALLERGAN, INC. (US) | 2018-02-07 | — | — | EP | disclosed |
| WO-2016160362-A1 | CYCLOSPORINS MODIFIED ON THE MEBMT SIDECHAIN BY HETEROCYCLIC RINGS | ALLERGAN, INC. (US) | 2016-10-06 | — | — | WO | disclosed |
| US-20160289271-A1 | Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings | ALLERGAN, INC. | 2016-10-06 | — | — | US | disclosed |