⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20849756 | 0.79 | CHRM1 (0.37) | — | |
| SCHEMBL20849760 | 0.79 | CHRM1 (0.37) | — | |
| SCHEMBL26837413 | 0.76 | — | — | |
| SCHEMBL20849995 | 0.76 | CA2 (0.38) | — | |
| SCHEMBL26897082 | 0.75 | ALOX15 (0.34) | — | |
| SCHEMBL19483440 | 0.74 | CPB2 (0.38) | — | |
| SCHEMBL20849990 | 0.73 | MAPK1 (0.38) | — | |
| SCHEMBL20849759 | 0.72 | AAK1 (0.30) | — | |
| SCHEMBL20286476 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL20849753 | 0.68 | CTSK (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190092808-A1 | SYNTHESIS AND COMPOSITION OF RAPAFUCIN LIBRARIES | THE JOHNS HOPKINS UNIVERSITY | 2019-03-28 | — | — | US | disclosed |