⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10150442 | 1.00 | — | — | |
| SCHEMBL10150467 | 0.93 | — | — | |
| SCHEMBL10150459 | 0.83 | — | — | |
| SCHEMBL12142520 | 0.82 | — | — | |
| SCHEMBL10150518 | 0.80 | — | — | |
| SCHEMBL19418015 | 0.80 | HSP90AA1 (0.32) | — | |
| SCHEMBL17368736 | 0.78 | — | — | |
| SCHEMBL12143658 | 0.77 | — | — | |
| SCHEMBL10150596 | 0.75 | L3MBTL1 (0.33) | — | |
| SCHEMBL10150438 | 0.75 | L3MBTL1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8450305-B2 | Macrocyclic compounds useful as inhibitors of kinases and HSP90 | UNIVERSITE DE STRASBOURG (FR) | 2013-05-28 | — | — | US | disclosed |
| US-20120077775-A1 | MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 | LE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-03-29 | — | — | US | disclosed |