⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6885872 | 0.80 | MEN1 (0.31) | — | |
| Water SCHEMBL18694754 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL154866 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL29349966 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL8942424 | 0.73 | — | — | |
| SCHEMBL21627337 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL8778727 | 0.70 | LMNA (0.35) | — | |
| Water SCHEMBL11338550 | 0.67 | — | — | |
| SCHEMBL28844645 | 0.67 | TSHR (0.52) | — | |
| SCHEMBL11134471 | 0.66 | MEN1 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110009462-A1 | STABLE, SYNERGISTIC MIXTURES | LANXESS DEUTSCHLAND GMBH (DE) | 2011-01-13 | — | — | US | claimed |
| US-20110009462-A1 | STABLE, SYNERGISTIC MIXTURES | LANXESS DEUTSCHLAND GMBH (DE) | 2011-01-13 | — | — | US | disclosed |