⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL142089 | 0.77 | CYP2D6 (0.36) | — | |
| SCHEMBL143580 | 0.77 | EPHX1 (0.39) | — | |
| SCHEMBL914270 | 0.77 | KDM4E (0.37) | — | |
| SCHEMBL2460035 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL676183 | 0.72 | ACHE (0.31) | — | |
| SCHEMBL15738267 | 0.72 | MEN1 (0.41) | — | |
| SCHEMBL5968281 | 0.71 | KMT2A (0.39) | — | |
| SCHEMBL5321292 | 0.71 | TSHR (0.46) | — | |
| SCHEMBL6066883 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL15733898 | 0.70 | RECQL (0.33) | — |
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-7902269-B2 | Dental material based on alkoxysilyl-functional polyethers containing a salt of a strong base as catalyst | KETTENBACH GMBH & CO. KG (DE) | 2011-03-08 | — | — | US | disclosed |
| US-20070173557-A1 | Dental material based on alkoxysilyl-functional polyethers containing a salt of a strong base as catalyst | KETTENBACH GMBH & CO. KG (DE) | 2007-07-26 | — | — | US | disclosed |