⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12045842 | 0.97 | — | — | |
| SCHEMBL2768575 | 0.83 | — | — | |
| SCHEMBL24401262 | 0.80 | — | — | |
| SCHEMBL3318666 | 0.71 | LMNA (0.35) | — | |
| SCHEMBL1271278 | 0.67 | — | — | |
| SCHEMBL10054308 | 0.67 | — | — | |
| Apaflurane SCHEMBL19860 | 0.67 | ALDH1A1 (0.33) | — | |
| Apaflurane SCHEMBL17867718 | 0.63 | ALDH1A1 (0.31) | — | |
| Apaflurane SCHEMBL7649343 | 0.63 | ALDH1A1 (0.31) | — | |
| Perflutren SCHEMBL9417226 | 0.62 | LMNA (0.30) | — |
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-8519078-B2 | Polyether-modified polysiloxane containing a perfluoropolyether group and its production method | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2013-08-27 | — | — | US | disclosed |
| US-20110319581-A1 | POLYETHER-MODIFIED POLYSILOXANE CONTAINING A PERFLUOROPOLYETHER GROUP AND ITS PRODUCTION METHOD | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2011-12-29 | — | — | US | disclosed |