⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6083462 | 1.00 | — | — | |
| SCHEMBL11796470 | 0.86 | ADH1A (0.39) | — | |
| SCHEMBL2911954 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL21476640 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL11329643 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL11834254 | 0.85 | ADH1A (0.42) | — | |
| SCHEMBL1425939 | 0.82 | — | — | |
| SCHEMBL14533780 | 0.82 | — | — | |
| SCHEMBL12804871 | 0.80 | ADH1B (0.34) | — | |
| SCHEMBL12806026 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013064703-A9 | FKBP SUBTYPE-SPECIFIC RAPAMYCIN ANALOGUE FOR USE IN TREATMENT OF DISEASES | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2013-06-27 | — | — | WO | disclosed |
| WO-2013064703-A2 | FKBP SUBTYPE-SPECIFIC RAPAMYCIN ANALOGUE FOR USE IN TREATMENT OF DISEASES | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2013-05-10 | — | — | WO | disclosed |
| EP-2589383-A1 | FKBP subtype-specific rapamycin analogue for use in treatment of diseases | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. Berlin (DE) | 2013-05-08 | — | — | EP | disclosed |