⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6890329 | 0.79 | — | — | |
| SCHEMBL9236612 | 0.79 | — | — | |
| SCHEMBL14736666 | 0.77 | — | — | |
| SCHEMBL6889104 | 0.76 | — | — | |
| SCHEMBL1470718 | 0.75 | — | — | |
| SCHEMBL1469999 | 0.75 | — | — | |
| SCHEMBL28377190 | 0.74 | — | — | |
| SCHEMBL5957638 | 0.74 | — | — | |
| SCHEMBL1470026 | 0.72 | — | — | |
| SCHEMBL1470757 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6642403-B2 | Adjust solubility in fluorohydrocarbons | GELEST, INC. | 2003-11-04 | — | — | US | claimed |
| US-20030092927-A1 | Silicon-based blocking agents suitable for fluorous phase synthesis | GELEST, INC. | 2003-05-15 | — | — | US | claimed |
| US-6642403-B2 | Adjust solubility in fluorohydrocarbons | GELEST, INC. | 2003-11-04 | — | — | US | disclosed |
| US-20030092927-A1 | Silicon-based blocking agents suitable for fluorous phase synthesis | GELEST, INC. | 2003-05-15 | — | — | US | disclosed |