⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6690256 | 0.82 | KDM4E (0.38) | — | |
| SCHEMBL4958726 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL6692056 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL6691827 | 0.65 | ADAMTS5 (0.34) | — | |
| SCHEMBL6696060 | 0.65 | LMNA (0.32) | — | |
| SCHEMBL6238926 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL4620116 | 0.64 | LMNA (0.31) | — | |
| SCHEMBL7760127 | 0.64 | LMNA (0.31) | — | |
| SCHEMBL4620887 | 0.64 | LMNA (0.36) | — | |
| SCHEMBL6695121 | 0.61 | LMNA (0.43) | — |
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-7842686-B2 | CGRP receptor antagonists | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-30 | — | — | US | disclosed |
| US-20090186882-A1 | CGRP RECEPTOR ANTAGONISTS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-07-23 | — | — | US | disclosed |
| US-20040200780-A1 | Methods and systems for uniform control of bromine concentrations in water | HOWARTH JONATHAN N (US) | 2004-10-14 | — | — | US | disclosed |
| US-6749758-B2 | Methods and systems for uniform-control of bromine concentrations in water | ALBEMARLE CORPORATION | 2004-06-15 | — | — | US | disclosed |
| WO-2003047345-A2 | METHOD FOR UNIFORM CONTROL OF BROMINE CONCENTRATIONS IN BIOCIDAL WATER | ALBEMARLE CORPORATION (US) | 2003-06-12 | — | — | WO | disclosed |
| US-20030102271-A1 | Methods and systems for uniform control of bromine concentrations in water | ALBEMARLE CORPORATION | 2003-06-05 | — | — | US | disclosed |