⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11911708 | 0.94 | ESR1 (0.32) | — | |
| SCHEMBL17704577 | 0.91 | ESR1 (0.32) | — | |
| SCHEMBL9007114 | 0.89 | ESR1 (0.31) | — | |
| SCHEMBL9650528 | 0.87 | ESR1 (0.31) | — | |
| SCHEMBL11911704 | 0.87 | ESR1 (0.34) | — | |
| SCHEMBL9007146 | 0.86 | — | — | |
| SCHEMBL17660565 | 0.86 | — | — | |
| SCHEMBL11911716 | 0.86 | — | — | |
| SCHEMBL11911707 | 0.86 | — | — | |
| SCHEMBL12905997 | 0.86 | — | — |
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-8129435-B2 | Perfluoropolyether-modified polysiloxane, a method for preparing the same and a defoaming agent comprising the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2012-03-06 | — | — | US | disclosed |