⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16714798 | 0.77 | — | — | |
| SCHEMBL6053573 | 0.65 | THRB (0.42) | — | |
| SCHEMBL814398 | 0.65 | LMNA (0.33) | — | |
| SCHEMBL126662 | 0.65 | LMNA (0.33) | — | |
| SCHEMBL18242687 | 0.65 | LMNA (0.33) | — | |
| Phosphonic Acid SCHEMBL20530381 | 0.64 | THRB (0.48) | — | |
| Perflexane SCHEMBL20530385 | 0.64 | THRB (0.48) | — | |
| Perflexane SCHEMBL20530384 | 0.64 | THRB (0.48) | — | |
| Phosphonic Acid SCHEMBL20530382 | 0.64 | THRB (0.48) | — | |
| Perflexane SCHEMBL1409099 | 0.62 | THRB (0.46) | — |
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-9056881-B2 | Process for the preparation of phosphinic acid esters | MERCK PATENT GMBH (DE) | 2015-06-16 | — | — | US | disclosed |
| US-20150045572-A1 | PROCESS FOR THE PREPARATION OF PHOSPHINIC ACID ESTERS | MERCK PATENT GMBH (DE) | 2015-02-12 | — | — | US | disclosed |