⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13089534 | 0.91 | — | — | |
| SCHEMBL13089588 | 0.87 | — | — | |
| SCHEMBL13089203 | 0.79 | ADRB2 (0.30) | — | |
| SCHEMBL20134677 | 0.78 | ADRB2 (0.38) | — | |
| SCHEMBL703901 | 0.78 | ADRB2 (0.38) | — | |
| SCHEMBL15292867 | 0.78 | ADRB2 (0.38) | — | |
| SCHEMBL708499 | 0.78 | ADRB2 (0.38) | — | |
| Fluoride SCHEMBL28805747 | 0.76 | ADRB2 (0.36) | — | |
| SCHEMBL705135 | 0.76 | ADRB2 (0.39) | — | |
| SCHEMBL13089532 | 0.76 | — | — |
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-20100261925-A1 | METHOD FOR PRODUCING SILICON COMPOUND | JSR CORPORATION (JP) | 2010-10-14 | — | — | US | disclosed |