⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27845506 | 0.97 | — | — | |
| SCHEMBL27801111 | 0.93 | — | — | |
| SCHEMBL9460 | 0.93 | — | — | |
| SCHEMBL5370 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL9387734 | 0.90 | — | — | |
| Water SCHEMBL17135404 | 0.90 | — | — | |
| SCHEMBL15732276 | 0.90 | — | — | |
| SCHEMBL5090161 | 0.90 | — | — | |
| SCHEMBL19205215 | 0.90 | — | — | |
| SCHEMBL1030444 | 0.90 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998011103-A1 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | ASTRA AKTIEBOLAG (SE) | 1998-03-19 | — | — | WO | claimed |
| EP-0905195-B1 | Neutral cure one component room temperature vulcanizable silicone compositions | GEN ELECTRIC (US) | 2002-03-27 | — | — | EP | disclosed |
| US-5962559-A | CONTAINING 1-SILA-AZACYCLOPENTANE COMPOUNDS AS ALCOHOL SCAVENGERS | GENERAL ELECTRIC COMPANY (US) | 1999-10-05 | — | — | US | disclosed |
| EP-0905195-A1 | Neutral cure one component room temperature vulcanizable silicone compositions | GENERAL ELECTRIC COMPANY (US) | 1999-03-31 | — | — | EP | disclosed |
| WO-1998011103-A1 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | ASTRA AKTIEBOLAG (SE) | 1998-03-19 | — | — | WO | disclosed |