⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18160203 | 0.97 | — | — | |
| SCHEMBL20912519 | 0.88 | — | — | |
| SCHEMBL20912529 | 0.88 | — | — | |
| SCHEMBL11973560 | 0.85 | ESR1 (0.31) | — | |
| SCHEMBL3867707 | 0.83 | — | — | |
| SCHEMBL3873563 | 0.83 | — | — | |
| SCHEMBL3871694 | 0.81 | — | — | |
| SCHEMBL14926430 | 0.80 | — | — | |
| SCHEMBL15949990 | 0.77 | — | — | |
| SCHEMBL15950089 | 0.77 | — | — |
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-8394980-B2 | Amino acid group-modified organopolysiloxane and silane, amino acid group-containing compound, and production method thereof | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2013-03-12 | — | — | US | disclosed |
| US-20120309983-A1 | AMINO ACID GROUP-MODIFIED ORGANOPOLYSILOXANE AND SILANE, AMINO ACID GROUP-CONTAINING COMPOUND, AND PRODUCTION METHOD THEREOF | MORIYA HIROYUKI (JP) | 2012-12-06 | — | — | US | disclosed |