⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17395691 | 1.00 | — | — | |
| SCHEMBL5615501 | 0.92 | TSHR (0.32) | — | |
| SCHEMBL5615296 | 0.92 | TSHR (0.32) | — | |
| SCHEMBL5615194 | 0.92 | TSHR (0.32) | — | |
| SCHEMBL5615453 | 0.92 | TSHR (0.32) | — | |
| SCHEMBL5615511 | 0.92 | TSHR (0.32) | — | |
| SCHEMBL5615428 | 0.92 | TSHR (0.32) | — | |
| SCHEMBL20240976 | 0.92 | TSHR (0.32) | — | |
| SCHEMBL8651059 | 0.92 | TSHR (0.32) | — | |
| SCHEMBL29187440 | 0.92 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5017221-A | Polymethylalkylsiloxane emulsions and methods | DOW CORNING CORPORATION (US) | 1991-05-21 | — | — | US | claimed |
| CN-112384189-A | Pristine graphene for skin care and composition with natural pressure sensitive adhesive | 生物自然实验室有限公司 | 2021-02-19 | — | — | CN | disclosed |