⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12040113 | 1.00 | — | — | |
| SCHEMBL1982591 | 1.00 | — | — | |
| SCHEMBL30528005 | 0.86 | TSHR (0.38) | — | |
| SCHEMBL2300144 | 0.83 | — | — | |
| SCHEMBL82776 | 0.79 | — | — | |
| SCHEMBL27296236 | 0.79 | — | — | |
| SCHEMBL6484627 | 0.79 | — | — | |
| SCHEMBL10784009 | 0.79 | DPP4 (0.46) | — | |
| SCHEMBL14261038 | 0.79 | — | — | |
| SCHEMBL28463622 | 0.78 | TSHR (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-20150118327-A1 | COMPOSITIONS AND METHODS FOR PREVENTING AND/OR TREATING DISORDERS ASSOCIATED WITH CEPHALIC PAIN | SEWELL RICHARD ANDREW (US) | 2015-04-30 | — | — | US | disclosed |
| US-8859579-B2 | Compostions and methods for preventing and/or treating disorders associated with cephalic pain | CERUVIA LIFESCIENCES LLC | 2014-10-14 | — | — | US | disclosed |
| US-20090264456-A1 | COMPOSTIONS AND METHODS FOR PREVENTING AND/OR TREATING DISORDERS ASOCIATED WITH CEPHALIC PAIN | CERUVIA LIFESCIENCES LLC | 2009-10-22 | — | — | US | disclosed |
| US-20090264456-A1 | COMPOSTIONS AND METHODS FOR PREVENTING AND/OR TREATING DISORDERS ASOCIATED WITH CEPHALIC PAIN | CERUVIA LIFESCIENCES LLC | 2009-10-22 | — | — | US | disclosed |
| US-20060039861-A1 | Peptide-based multimeric targeted contrast agents | EPIX MEDICAL, INC., A DELAWARE CORPORATION | 2006-02-23 | — | — | US | disclosed |