⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10150644 | 0.91 | — | — | |
| SCHEMBL10150646 | 0.85 | PPARG (0.31) | — | |
| SCHEMBL10150648 | 0.85 | PPARG (0.31) | — | |
| SCHEMBL10150655 | 0.84 | L3MBTL1 (0.31) | — | |
| SCHEMBL10150587 | 0.75 | CRHR1 (0.35) | — | |
| SCHEMBL10150637 | 0.72 | — | — | |
| SCHEMBL10150613 | 0.64 | L3MBTL1 (0.32) | — | |
| SCHEMBL10150593 | 0.63 | CRHR1 (0.36) | — | |
| SCHEMBL12142624 | 0.63 | CRHR1 (0.36) | — | |
| SCHEMBL10150432 | 0.63 | CRHR1 (0.36) | — |
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 5 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 |
| US-8067412-B2 | analogs of natural products radicicol and pochonins; (oxirane or cyclopropan) 2-benzoxacyclo(di)tetradecin derivatives; inhibition of kinase phosphorylation activity and heat shock proteins; anticarcinogenic, antiinflammatory agent; neurodegenerative diseases; antiallergen | UNIVERSITE DE STRASBOURG (FR) | 2011-11-29 | — | — | US | disclosed |
| US-20100292218-A1 | Treatment Of Neurofibromatosis With Radicicol And Its Derivatives | NEXGENIX PHARMACEUTICALS HOLDINGS, INC. | 2010-11-18 | — | — | US | disclosed |
| US-20080146545-A1 | Macrocyclic compounds useful as inhibitors of kinases and HSP90 | UNIVERSITE DE STRASBOURG (FR) | 2008-06-19 | — | — | US | disclosed |