⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19921550 | 0.80 | — | — | |
| SCHEMBL1608102 | 0.76 | — | — | |
| SCHEMBL591099 | 0.75 | — | — | |
| SCHEMBL5067712 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL13656487 | 0.74 | TSHR (0.43) | — | |
| Hydrochloric Acid SCHEMBL6072699 | 0.73 | — | — | |
| SCHEMBL8869648 | 0.72 | — | — | |
| SCHEMBL5139119 | 0.70 | — | — | |
| SCHEMBL797502 | 0.70 | TSHR (0.50) | — | |
| SCHEMBL8608290 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9058915-B1 | Omniconjugated conductive polymers and methods for making the same | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2015-06-16 | — | — | US | disclosed |
| EP-0040366-B1 | IMIDAZOLYL-VINYL KETONES AND CARBINOLS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BAYER AG (DE) | 1983-11-02 | — | — | EP | disclosed |
| US-4182862-A | Process for the preparation of 1,3-disubstituted-2-azoyl-2-propen-1-ones | ROHM AND HAAS COMPANY (US) | 1980-01-08 | — | — | US | disclosed |