⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL598117 | 0.76 | — | — | |
| SCHEMBL5706204 | 0.70 | — | — | |
| SCHEMBL12166733 | 0.70 | CA1 (0.40) | — | |
| SCHEMBL12245492 | 0.70 | FUCA1 (0.31) | — | |
| Methylamine SCHEMBL7555450 | 0.70 | FUCA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL2377228 | 0.68 | FUCA1 (0.30) | — | |
| SCHEMBL598337 | 0.67 | — | — | |
| SCHEMBL3531756 | 0.67 | — | — | |
| SCHEMBL13522864 | 0.65 | — | — | |
| SCHEMBL13844418 | 0.65 | FUCA1 (0.31) | — |
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-20170190830-A1 | FUNCTIONALIZATION OF DIELS-ALDER POLYPHENYLENE POLYMERS | NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC | 2017-07-06 | — | — | US | disclosed |