⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3248479 | 1.00 | — | — | |
| SCHEMBL5611588 | 0.91 | — | — | |
| SCHEMBL2935755 | 0.86 | — | — | |
| SCHEMBL8926692 | 0.86 | — | — | |
| SCHEMBL31601233 | 0.86 | — | — | |
| SCHEMBL187216 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL913311 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL3276518 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL4494190 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL6833369 | 0.82 | — | — |
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-20100038599-A1 | POLYMERIZABLE SEMICONDUCTORS, POLYMERS THEREOF, AND METHODS OF MAKING AND USING SAME | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2010-02-18 | — | — | US | disclosed |