⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6510546 | 0.89 | CA12 (0.39) | — | |
| SCHEMBL54974 | 0.84 | — | — | |
| SCHEMBL2452292 | 0.84 | — | — | |
| SCHEMBL10695911 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL28256575 | 0.76 | — | — | |
| SCHEMBL3371255 | 0.74 | CA12 (0.37) | — | |
| SCHEMBL28427853 | 0.74 | — | — | |
| SCHEMBL5698843 | 0.72 | — | — | |
| SCHEMBL9757000 | 0.72 | GNAI3 (0.33) | — | |
| SCHEMBL960343 | 0.71 | GNAI3 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101747511-B | Polysiloxane containing fluorine and application thereof | UNIV EAST CHINA SCIENCE & TECH | 2011-08-03 | — | — | CN | disclosed |
| CN-101747511-A | Polysiloxane containing fluorine and application thereof | UNIV EAST CHINA SCIENCE & TECH | 2010-06-23 | — | — | CN | disclosed |
| US-4167537-A | REACTION PRODUCT OF AMINOALKYLALKOXYSILANE AND EPOXYALKYLALKOXYSILAND, ETHERIFIED METHYLOLMELAMINE, ALKYD RESIN | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1979-09-11 | — | — | US | disclosed |