⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3093440 | 0.80 | TSHR (0.53) | — | |
| SCHEMBL59459 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL3519251 | 0.78 | — | — | |
| Ethylene Glycol SCHEMBL1468277 | 0.77 | TSHR (0.43) | — | |
| SCHEMBL28138317 | 0.77 | — | — | |
| SCHEMBL968544 | 0.77 | ACE (0.35) | — | |
| SCHEMBL110270 | 0.77 | — | — | |
| SCHEMBL11224122 | 0.75 | TSHR (0.48) | — | |
| SCHEMBL10898409 | 0.75 | TSHR (0.48) | — | |
| SCHEMBL1815437 | 0.73 | ADRA2A (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170349627-A1 | COMPOSITION CONTAINING NITROGEN HETEROCYCLIC HEXAPEPTIDE PRECURSOR AND PREPARATION METHOD AND APPLICATION THEREOF | SHANGHAI TECHWELL BIOPHARMACEUTICAL CO., LTD. (CN) | 2017-12-07 | — | — | US | disclosed |