⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL28752346 | 0.75 | — | — | |
| SCHEMBL13189216 | 0.73 | — | — | |
| SCHEMBL25447271 | 0.73 | — | — | |
| SCHEMBL20202257 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL30127633 | 0.73 | — | — | |
| SCHEMBL1331930 | 0.71 | — | — | |
| SCHEMBL20661241 | 0.71 | ALDH1A1 (1.00) | — | |
| SCHEMBL14855 | 0.71 | — | — | |
| SCHEMBL322832 | 0.71 | ALDH1A1 (1.00) | — | |
| SCHEMBL3970444 | 0.71 | — | — |
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-20180155370-A1 | THERMOSETTING ALKOXYSILYL COMPOUND HAVING TWO OR MORE ALKOXYSILYL GROUPS, COMPOSITION AND CURED PRODUCT COMPRISING SAME, USE THEREOF, AND METHOD FOR PREPARING ALKOXYSILYL COMPOUND | KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) | 2018-06-07 | — | — | US | disclosed |
| US-20160326299-A1 | NOVEL NOVOLAC CURING AGENT WITH ALKOXYSILYL GROUP, METHOD FOR PREPARING THE SAME, COMPOSITION CONTAINING THE SAME, THE CURED PRODUCT, AND USE THEREOF | KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) | 2016-11-10 | — | — | US | disclosed |
| WO-2016093383-A1 | THERMOSETTING ALKOXYSILYL COMPOUND HAVING TWO OR MORE ALKOXYSILYL GROUPS, COMPOSITION AND CURED PRODUCT COMPRISING SAME, USE THEREOF, AND METHOD FOR PREPARING ALKOXYSILYL COMPOUND | 한국생산기술연구원 | 2016-06-16 | — | — | WO | disclosed |