⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21482253 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL3831418 | 0.71 | — | — | |
| SCHEMBL2954654 | 0.71 | — | — | |
| SCHEMBL16515512 | 0.69 | — | — | |
| SCHEMBL1122891 | 0.68 | — | — | |
| SCHEMBL24809674 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL22003302 | 0.67 | — | — | |
| SCHEMBL7963169 | 0.67 | — | — | |
| SCHEMBL16515796 | 0.67 | — | — | |
| SCHEMBL28840460 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6288061-B1 | INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS | WELFIDE CORPORATION (JP) | 2001-09-11 | — | — | US | disclosed |