⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL752992 | 0.96 | — | — | |
| SCHEMBL27696073 | 0.86 | — | — | |
| SCHEMBL7718004 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL3961837 | 0.65 | TSHR (0.42) | — | |
| SCHEMBL7062481 | 0.62 | — | — | |
| SCHEMBL5576712 | 0.62 | — | — | |
| SCHEMBL14832691 | 0.62 | — | — | |
| SCHEMBL23977045 | 0.60 | — | — | |
| SCHEMBL622528 | 0.60 | — | — | |
| SCHEMBL11510813 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003040254-A1 | A LIQUID FOR ENERGY TRANSMISSION, ESPECIALLY FOR HEAT AND PRESSURE, AND USE OF BOROLAN- AND BORINAN-DERIVED ALKALINE SALTS TO STABILIZE THE PH-VALUE OF THIS LIQUID | ELEKTROCHEMICKÉ DETEKTORY, SPOL. S R.O. (CZ) | 2003-05-15 | — | — | WO | disclosed |