⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL672871 | 0.83 | CYP2C19 (0.33) | — | |
| SCHEMBL11256898 | 0.81 | — | — | |
| SCHEMBL1046313 | 0.80 | — | — | |
| SCHEMBL11236068 | 0.77 | — | — | |
| SCHEMBL673867 | 0.72 | — | — | |
| SCHEMBL674916 | 0.69 | — | — | |
| SCHEMBL8728681 | 0.68 | — | — | |
| SCHEMBL814934 | 0.68 | — | — | |
| SCHEMBL1988600 | 0.67 | — | — | |
| SCHEMBL11751740 | 0.66 | TSHR (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0874857-A1 | SYNTHESIS OF POLYMERISABLE PHOSPHODIESTERS | BIOCOMPATIBLES LIMITED (GB) | 1998-11-04 | — | — | EP | disclosed |
| EP-0853626-A1 | SUBSTITUTED PHOSPHINIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS | Novartis AG (CH) | 1998-07-22 | — | — | EP | disclosed |
| WO-1997014703-A1 | SYNTHESIS OF POLYMERISABLE PHOSPHODIESTERS | BIOCOMPATIBLES LIMITED (GB) | 1997-04-24 | — | — | WO | disclosed |
| WO-1997009335-A1 | SUBSTITUTED PHOSPHINIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS | NOVARTIS AG (CH) | 1997-03-13 | — | — | WO | disclosed |