⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8413589 | 1.00 | — | — | |
| SCHEMBL15972107 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL7539944 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL5599274 | 0.73 | — | — | |
| SCHEMBL8408629 | 0.70 | — | — | |
| SCHEMBL727529 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL8414468 | 0.63 | — | — | |
| SCHEMBL9883162 | 0.61 | CYP2D6 (0.53) | — | |
| SCHEMBL11424207 | 0.61 | CYP2D6 (0.30) | — | |
| SCHEMBL11430858 | 0.61 | CYP2D6 (0.30) | — |
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-5856543-A | Silanes comprising branched alkyl chains | BASF AKTIENGESELLSCHAFT (DE) | 1999-01-05 | — | — | US | disclosed |