⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15774515 | 0.82 | TSHR (0.40) | — | |
| SCHEMBL14685074 | 0.82 | TSHR (0.40) | — | |
| SCHEMBL17504497 | 0.82 | TSHR (0.40) | — | |
| SCHEMBL544794 | 0.80 | CYP2D6 (0.46) | — | |
| Hydrochloric Acid SCHEMBL14677955 | 0.80 | TSHR (0.39) | — | |
| Hydrochloric Acid SCHEMBL16760762 | 0.80 | TSHR (0.39) | — | |
| SCHEMBL26109316 | 0.80 | CYP2D6 (0.46) | — | |
| Hydrochloric Acid SCHEMBL15774514 | 0.80 | TSHR (0.39) | — | |
| Hydrochloric Acid SCHEMBL28180974 | 0.80 | TSHR (0.39) | — | |
| SCHEMBL19100033 | 0.78 | GAA (0.44) | — |
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-5098996-A | Fluorination of compounds for use in diagnosis of nuclear medicine | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1992-03-24 | — | — | US | disclosed |