⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6283476 | 0.73 | TSHR (0.65) | — | |
| SCHEMBL151375 | 0.73 | TSHR (0.65) | — | |
| SCHEMBL28353 | 0.73 | — | — | |
| SCHEMBL1901862 | 0.73 | DPP4 (0.47) | — | |
| SCHEMBL29666976 | 0.73 | DPP4 (0.47) | — | |
| SCHEMBL350342 | 0.73 | TSHR (0.55) | — | |
| SCHEMBL22042229 | 0.73 | TSHR (0.55) | — | |
| SCHEMBL9425022 | 0.73 | TSHR (0.55) | — | |
| Bromide SCHEMBL21831069 | 0.71 | TSHR (0.61) | — | |
| Water SCHEMBL11889376 | 0.71 | TSHR (0.93) | — |
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-6426402-B1 | RESPIRATORY SYSTEM DISORDERS; RHEUMATIC DISEASES | SYNTEX (U.S.A.) LLC | 2002-07-30 | — | — | US | disclosed |