⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6851440 | 0.90 | — | — | |
| SCHEMBL16217682 | 0.84 | — | — | |
| SCHEMBL6851482 | 0.75 | — | — | |
| SCHEMBL17165008 | 0.74 | — | — | |
| SCHEMBL16217677 | 0.73 | — | — | |
| SCHEMBL10016118 | 0.71 | — | — | |
| SCHEMBL12032236 | 0.71 | PIK3CD (0.32) | — | |
| SCHEMBL10032080 | 0.70 | — | — | |
| SCHEMBL1134091 | 0.70 | — | — | |
| SCHEMBL16217680 | 0.69 | — | — |
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-6779656-B2 | CURABLE BIS(DIALKYL)(2-(7-OXABICYCLO(4.1.0)HEPT-3-YL)ALKYL)-SILANE DERIVATIVES; DENTAL ADHESIVES | 3M ESPE AG (DE) | 2004-08-24 | — | — | US | claimed |