⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7758536 | 0.82 | — | — | |
| SCHEMBL3634011 | 0.81 | — | — | |
| Monoethanolamine SCHEMBL10839687 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL613351 | 0.80 | — | — | |
| SCHEMBL11666616 | 0.80 | — | — | |
| Fluoride SCHEMBL6762574 | 0.78 | SLC6A4 (0.39) | — | |
| SCHEMBL11309907 | 0.78 | CA12 (0.38) | — | |
| SCHEMBL19099880 | 0.78 | — | — | |
| SCHEMBL1619439 | 0.78 | — | — | |
| SCHEMBL5052380 | 0.76 | SLC6A4 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110207643-A1 | AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT | THE PROCTER & GAMBLE COMPANY (US) | 2011-08-25 | — | — | US | disclosed |
| EP-1095128-B2 | AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT | PROCTER & GAMBLE (US) | 2011-03-09 | — | — | EP | disclosed |
| CN-101674974-A | Novel molybdenum compounds | VANDERBILT CO R T | 2010-03-17 | — | — | CN | disclosed |