⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL203137 | 0.72 | — | — | |
| SCHEMBL18241826 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL8734714 | 0.69 | — | — | |
| Methane SCHEMBL205249 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL49924 | 0.69 | — | — | |
| SCHEMBL8734710 | 0.69 | — | — | |
| SCHEMBL27805582 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL7115711 | 0.67 | — | — | |
| SCHEMBL7980090 | 0.67 | — | — | |
| SCHEMBL11579035 | 0.67 | ALDH1A1 (0.39) | — |
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-6287701-B1 | BLEND OF WATER SOLUBLE RESIN, ORGANOSILICON COMPOUND AND WATER | CHUO RIKA KOGYO CORPORATION (JP) | 2001-09-11 | — | — | US | disclosed |