⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7026374 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL497200 | 0.68 | KDM4C (0.43) | — | |
| SCHEMBL3468720 | 0.67 | — | — | |
| SCHEMBL6248573 | 0.66 | — | — | |
| SCHEMBL332802 | 0.65 | — | — | |
| SCHEMBL252329 | 0.65 | — | — | |
| SCHEMBL1078576 | 0.65 | — | — | |
| SCHEMBL9007587 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL9225462 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL9228111 | 0.65 | TSHR (0.32) | — |
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-6767982-B2 | REACTING IN A FIRST STAGE AN ORGANOTRICHLOROSILANE OR A MIXTURE, WATER AND AN ALCOHOL AT 0-150 DEGREES C.; HYDROGEN CHLORIDE PRODUCT REMOVED; CRUDE PRODUCT TRANSFERRED TO REACTION DISTILLATION COLUMN; BOTTOMS RECOVERED | DEGUSSA AG (DE) | 2004-07-27 | — | — | US | disclosed |
| US-20020086907-A1 | Continuous manufacturing process for organoalkoxysiloxanes | DEGUSSA AG (DE) | 2002-07-04 | — | — | US | disclosed |