⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1519062 | 0.95 | — | — | |
| SCHEMBL51123 | 0.84 | — | — | |
| SCHEMBL6023928 | 0.76 | — | — | |
| SCHEMBL19580152 | 0.74 | — | — | |
| SCHEMBL4929388 | 0.74 | CYP1A2 (0.36) | — | |
| SCHEMBL51579 | 0.73 | — | — | |
| SCHEMBL11206443 | 0.72 | EPHX1 (0.36) | — | |
| SCHEMBL7152511 | 0.72 | — | — | |
| SCHEMBL1484191 | 0.72 | — | — | |
| SCHEMBL1026656 | 0.72 | — | — |
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-4431264-A | Fluorosiloxane optical cladding | RAYCHEM CORPORATION (US) | 1984-02-14 | — | — | US | disclosed |
| US-4317616-A | Fluorosiloxane optical cladding | RAYCHEM CORPORATION (US) | 1982-03-02 | — | — | US | disclosed |