⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14504624 | 0.82 | — | — | |
| SCHEMBL14524980 | 0.77 | — | — | |
| SCHEMBL14348202 | 0.77 | — | — | |
| SCHEMBL9998063 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL14738630 | 0.72 | — | — | |
| SCHEMBL16761830 | 0.72 | — | — | |
| SCHEMBL2074977 | 0.70 | MAPK1 (0.35) | — | |
| SCHEMBL2074979 | 0.70 | MAPK1 (0.35) | — | |
| SCHEMBL10153255 | 0.70 | — | — | |
| SCHEMBL9617831 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006055578-A3 | ASYMMETRIC SYNTHESIS OF (-)-AGELASTATIN A | HIGHER EDUCATION TEMPLE UNIVER (US) | 2006-07-06 | — | — | WO | disclosed |
| WO-2006055578-A2 | ASYMMETRIC SYNTHESIS OF (-)-AGELASTATIN A | TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEMS OF HIGHER EDUCATION (US) | 2006-05-26 | — | — | WO | disclosed |