⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23164949 | 0.73 | — | — | |
| SCHEMBL19390484 | 0.73 | — | — | |
| SCHEMBL17770651 | 0.73 | — | — | |
| SCHEMBL31378690 | 0.73 | — | — | |
| SCHEMBL31378600 | 0.70 | — | — | |
| SCHEMBL18837707 | 0.69 | NPC1 (0.40) | — | |
| SCHEMBL31378526 | 0.62 | FFAR1 (0.32) | — | |
| SCHEMBL791300 | 0.62 | — | — | |
| SCHEMBL8521071 | 0.62 | CYP1A2 (0.44) | — | |
| SCHEMBL723776 | 0.60 | — | — |
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-20170202970-A1 | SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME | BLINKBIO, INC. | 2017-07-20 | — | — | US | disclosed |