⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4235733 | 0.77 | — | — | |
| SCHEMBL4340186 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL1325636 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL204697 | 0.69 | ALDH1A1 (0.44) | — | |
| SCHEMBL2771869 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL203518 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL339422 | 0.65 | — | — | |
| SCHEMBL6552222 | 0.65 | — | — | |
| SCHEMBL20680488 | 0.65 | ALDH1A1 (0.41) | — | |
| SCHEMBL204297 | 0.65 | ALDH1A1 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5861460-A | MIXING POLYSILOXANE WITH AN ORGANOSILANE HAVING TWO SILICON-BONDED HYDROLYZABLE GROUPS, POWDERED INORGANIC FILLER AND CURE-ACCELERATING CATALYST, THEN VACUUM DEGASSING YIELDS STRONG, DURABLE CURED POLYSILOXANES; EFFICIENCY | DOW CORNING TORAY SILICONE CO., LTD. (JP) | 1999-01-19 | — | — | US | disclosed |