⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2627104 | 0.83 | — | — | |
| SCHEMBL804957 | 0.81 | — | — | |
| SCHEMBL19417443 | 0.81 | — | — | |
| SCHEMBL2627103 | 0.81 | — | — | |
| SCHEMBL9969489 | 0.81 | — | — | |
| SCHEMBL2627127 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL4659580 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL24741005 | 0.76 | RIPK1 (0.31) | — | |
| SCHEMBL20952944 | 0.76 | — | — | |
| SCHEMBL12134207 | 0.76 | CETP (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130081999-A1 | Bridged Macrocyclic Module Compositions | WHITEFORD JEFFERY A (US) | 2013-04-04 | — | — | US | disclosed |
| US-8182695-B2 | Bridged macrocyclic module compositions | WHITEFORD JEFFERY A (US) | 2012-05-22 | — | — | US | disclosed |
| US-7667036-B2 | MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders | TEIJIN PHARMA LIMITED (JP) | 2010-02-23 | — | — | US | disclosed |
| US-7667036-B2 | MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders | TEIJIN PHARMA LIMITED (JP) | 2010-02-23 | — | — | US | disclosed |
| US-20080290034-A1 | Bridged macrocyclic module compositions | COVALENT PARTNERS LLC | 2008-11-27 | — | — | US | disclosed |
| US-7368564-B2 | Bridged macrocyclic module compositions | COVALENT PARTNERS, LLC (US) | 2008-05-06 | — | — | US | disclosed |