⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8740950 | 0.96 | — | — | |
| SCHEMBL29261029 | 0.67 | — | — | |
| SCHEMBL10187351 | 0.67 | — | — | |
| SCHEMBL30898370 | 0.65 | TSHR (0.35) | — | |
| SCHEMBL18799251 | 0.65 | — | — | |
| SCHEMBL10458342 | 0.64 | — | — | |
| SCHEMBL6854401 | 0.64 | — | — | |
| SCHEMBL23718157 | 0.61 | — | — | |
| SCHEMBL12955187 | 0.61 | — | — | |
| SCHEMBL11988748 | 0.61 | — | — |
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-9931407-B2 | Silicon based drug conjugates and methods of using same | BLINKBIO, INC. (US) | 2018-04-03 | — | — | US | disclosed |
| CN-104557487-A | Preparation method of p-benzoquinone compound | QINGDAO INST BIOENERGY & BIOPROCESS TECHNOLOGY CAS | 2015-04-29 | — | — | CN | disclosed |