⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL310151 | 0.76 | — | — | |
| SCHEMBL385017 | 0.73 | — | — | |
| SCHEMBL14172507 | 0.71 | OPRM1 (0.35) | — | |
| SCHEMBL27494246 | 0.70 | TSHR (0.33) | — | |
| Water SCHEMBL7548465 | 0.70 | — | — | |
| SCHEMBL24770 | 0.67 | — | — | |
| SCHEMBL12000913 | 0.67 | — | — | |
| SCHEMBL5514107 | 0.67 | OPRM1 (0.43) | — | |
| SCHEMBL18286415 | 0.67 | OPRM1 (0.43) | — | |
| Ammonia Solution, Strong SCHEMBL28538374 | 0.65 | — | — |
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-6013187-A | CONTACTING SOLUTION COMPRISING METAL CONTAMINATE AND LIQUID PHASE OF ORGANOSILANE OR POLYORGANOSILOXANE WITH THE MERCAPTO-FUNCTIONAL SILICA XEROGEL HAVING SPECIFIC SURFACE AREA AND PORE DIAMETER AND VOLUME | DOW CORNING CORPORATION (US) | 2000-01-11 | — | — | US | claimed |