⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9486873 | 0.97 | TSHR (0.52) | — | |
| SCHEMBL28174666 | 0.97 | TSHR (0.52) | — | |
| SCHEMBL17242077 | 0.97 | TSHR (0.52) | — | |
| Hydrochloric Acid SCHEMBL8168232 | 0.95 | TSHR (0.44) | — | |
| Hydrochloric Acid SCHEMBL9065295 | 0.93 | TSHR (0.48) | — | |
| Hydrochloric Acid SCHEMBL9065293 | 0.93 | TSHR (0.48) | — | |
| SCHEMBL6910567 | 0.92 | — | — | |
| SCHEMBL5969206 | 0.79 | — | — | |
| SCHEMBL14956560 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL52388 | 0.74 | — | — |
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-5271242-A | — | — | None | — | — | JP | disclosed |
| JP-H05271242-A | ALKENYLALKYLSILANE | SHIN ETSU CHEM CO LTD | 1993-10-19 | — | — | JP | disclosed |