⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL241718 | 0.82 | — | — | |
| SCHEMBL3270945 | 0.81 | — | — | |
| SCHEMBL23628544 | 0.80 | — | — | |
| SCHEMBL1438735 | 0.80 | — | — | |
| SCHEMBL4258781 | 0.77 | — | — | |
| SCHEMBL12076189 | 0.74 | — | — | |
| SCHEMBL8468863 | 0.71 | — | — | |
| SCHEMBL8466500 | 0.71 | — | — | |
| SCHEMBL78094 | 0.71 | — | — | |
| SCHEMBL2226184 | 0.70 | CYP1A2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011081651-A1 | METHODS AND COMPOSITIONS COMPRISING MACROCYCLES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2011-07-07 | — | — | WO | disclosed |
| US-20110144324-A1 | METHODS AND COMPOSITIONS COMPRISING MACROCYCLES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2011-06-16 | — | — | US | disclosed |