⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10021633 | 0.83 | ACHE (0.44) | — | |
| SCHEMBL16641685 | 0.81 | — | — | |
| SCHEMBL10347942 | 0.77 | — | — | |
| SCHEMBL2803438 | 0.77 | — | — | |
| SCHEMBL16447335 | 0.74 | ACHE (0.44) | — | |
| SCHEMBL20328706 | 0.74 | ACHE (0.59) | — | |
| SCHEMBL7352101 | 0.73 | — | — | |
| SCHEMBL3322288 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL16447140 | 0.72 | L3MBTL1 (0.36) | — | |
| SCHEMBL16446584 | 0.72 | MEN1 (0.38) | — |
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-20120095177-A1 | FLUORINATED POLY(ETHER)S END-CAPPED WITH POLYMERIZABLE CATIONIC HYDROPHILIC GROUPS | SANTARUS, INC. | 2012-04-19 | — | — | US | disclosed |
| US-8105623-B2 | Fluorinated poly(ether)s end-capped with polymerizable cationic hydrophilic groups | BAUSCH & LOMB INCORPORATED (US) | 2012-01-31 | — | — | US | disclosed |