⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24389460 | 0.98 | TSHR (0.33) | — | |
| SCHEMBL25449474 | 0.80 | TSHR (0.36) | — | |
| SCHEMBL25911596 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL27977743 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL28075093 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL3210760 | 0.78 | TSHR (0.47) | — | |
| SCHEMBL21015976 | 0.77 | THRB (0.33) | — | |
| SCHEMBL5070252 | 0.76 | TSHR (0.39) | — | |
| SCHEMBL21687329 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL8685403 | 0.75 | TSHR (0.53) | — |
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-20190255079-A1 | COMPOSITIONS AND METHODS USEFUL FOR TREATING DISEASES CHARACTERIZED BY INSUFFICIENT PANTOTHENATE KINASE ACTIVITY | COMET THERAPEUTICS B.V. (NL) | 2019-08-22 | — | — | US | disclosed |