⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18498 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL30928250 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL9815710 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL9815654 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL10031071 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL13098500 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL3545446 | 0.68 | — | — | |
| SCHEMBL3544743 | 0.68 | — | — | |
| SCHEMBL8710279 | 0.68 | TSHR (0.43) | — | |
| SCHEMBL4199931 | 0.68 | TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-9268147-A | — | — | None | — | — | JP | disclosed |
| JP-H09268147-A | NOVEL HYDROXY COMPONENT HAVING TERPENE SKELETON AND ITS PRODUCTION | YASUHARA CHEM KK | 1997-10-14 | — | — | JP | disclosed |