⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10915445 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL10966085 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL29236030 | 0.76 | CAMK2A (0.37) | — | |
| SCHEMBL12744044 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL17265366 | 0.71 | — | — | |
| SCHEMBL4421210 | 0.71 | — | — | |
| SCHEMBL11311613 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL9580981 | 0.71 | ALDH1A1 (0.50) | — | |
| SCHEMBL9714982 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL4265755 | 0.69 | ALDH1A1 (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6794520-B1 | HYDROLYZABLE SILANES WHICH CONTAIN POLYMERIZABLE ORGANIC RADICALS ARE USED IN THE PREPARATION OF COATINGS, ETC. | IVOCLAR AG (LI) | 2004-09-21 | — | — | US | disclosed |
| US-6713555-B2 | SUITABLE IN PARTICULAR FOR THE PREPARATION OF DENTAL MATERIALS. | IVOCLAR AG (LI) | 2004-03-30 | — | — | US | disclosed |
| US-20030060535-A1 | Hydrolyzable and polymerizable silanes based on methylene dithiepane | MOSZNER NORBERT (LI) | 2003-03-27 | — | — | US | disclosed |
| CN-1050034-A | The platelet-like substrates of polymeric encapsulate | MERCK PATENT GMBH (DE) | 1991-03-20 | — | — | CN | disclosed |