⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL831876 | 1.00 | — | — | |
| SCHEMBL12036495 | 1.00 | — | — | |
| Bromide SCHEMBL19514188 | 0.97 | — | — | |
| Bromide SCHEMBL19514189 | 0.97 | — | — | |
| Bromide SCHEMBL16968721 | 0.94 | — | — | |
| Bromide SCHEMBL19666659 | 0.94 | — | — | |
| SCHEMBL3483406 | 0.91 | — | — | |
| SCHEMBL4059880 | 0.88 | TSHR (0.36) | — | |
| SCHEMBL9961511 | 0.88 | — | — | |
| SCHEMBL6614533 | 0.81 | PTK2 (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-8143254-B2 | Methods for modulating ion channels | CORNELL RESEARCH FOUNDATION, INC. (US) | 2012-03-27 | — | — | US | disclosed |
| US-8143254-B2 | Methods for modulating ion channels | CORNELL RESEARCH FOUNDATION, INC. (US) | 2012-03-27 | — | — | US | disclosed |
| US-20090005386-A1 | Methods for Modulating Ion Channels | PACE UNIVERSITY | 2009-01-01 | — | — | US | disclosed |
| US-20090005386-A1 | Methods for Modulating Ion Channels | PACE UNIVERSITY | 2009-01-01 | — | — | US | disclosed |
| WO-2006089168-A2 | METHODS FOR MODULATING ION CHANNELS | CORNELL RESEARCH FOUNDATION, INC. (US) | 2006-08-24 | — | — | WO | disclosed |