⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19131102 | 0.78 | PARP1 (0.35) | — | |
| SCHEMBL18237564 | 0.78 | PARP1 (0.35) | — | |
| SCHEMBL19153378 | 0.76 | — | — | |
| SCHEMBL17229743 | 0.64 | HCAR2 (0.33) | — | |
| SCHEMBL17229777 | 0.63 | HCAR2 (0.35) | — | |
| SCHEMBL19902540 | 0.62 | PARP1 (0.51) | — | |
| SCHEMBL19902539 | 0.62 | PARP1 (0.48) | — | |
| SCHEMBL17705711 | 0.62 | IDH1 (0.33) | — | |
| SCHEMBL20033633 | 0.61 | — | — | |
| SCHEMBL19152895 | 0.60 | WNT3A (0.38) | — |
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-20190290771-A1 | SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME | BLINKBIO, INC. | 2019-09-26 | — | — | US | disclosed |