⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL776181 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL27542665 | 0.67 | — | — | |
| SCHEMBL3634502 | 0.65 | — | — | |
| SCHEMBL14356437 | 0.65 | — | — | |
| SCHEMBL7928914 | 0.65 | — | — | |
| SCHEMBL11537003 | 0.65 | — | — | |
| SCHEMBL4900590 | 0.65 | — | — | |
| SCHEMBL13774798 | 0.63 | — | — | |
| SCHEMBL20184154 | 0.63 | — | — | |
| SCHEMBL10314780 | 0.63 | — | — |
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-4150057-A | ION EXCHANGING, REACTION OF BORON COMPOUND WITH DIMETHYL SULFIDE AND HYDROCHLORIC ACID | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1979-04-17 | — | — | US | disclosed |