⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28060997 | 0.82 | — | — | |
| SCHEMBL20573514 | 0.74 | — | — | |
| SCHEMBL20577230 | 0.74 | — | — | |
| SCHEMBL9306183 | 0.73 | TRPA1 (0.31) | — | |
| SCHEMBL28930311 | 0.73 | TRPA1 (0.31) | — | |
| SCHEMBL27185976 | 0.71 | TRPA1 (0.30) | — | |
| SCHEMBL28576088 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL7620163 | 0.68 | — | — | |
| SCHEMBL10696704 | 0.68 | TSHR (0.34) | — | |
| SCHEMBL15010938 | 0.68 | — | — |
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-6673875-B2 | Anaerobic compositions with enhanced toughness and crack resistance | HENKEL LOCTITE CORPORATION | 2004-01-06 | — | — | US | disclosed |
| US-20030036601-A1 | Anaerobic compositions with enhanced toughness and crack resistance | Henkel IP & Holding GmbH (DE) | 2003-02-20 | — | — | US | disclosed |
| WO-2001072917-A1 | ANAEROBIC COMPOSITIONS WITH ENHANCED TOUGHNESS AND CRACK RESISTANCE | HENKEL LOCTITE CORPORATION (US) | 2001-10-04 | — | — | WO | disclosed |