⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL575290 | 0.75 | TSHR (0.46) | — | |
| Triethyl Phosphate SCHEMBL29757139 | 0.69 | TSHR (0.43) | — | |
| SCHEMBL5484521 | 0.69 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL575501 | 0.64 | — | — | |
| SCHEMBL15230201 | 0.64 | ACHE (0.46) | — | |
| SCHEMBL14661488 | 0.63 | PGK1 (0.30) | — | |
| SCHEMBL15230108 | 0.62 | — | — | |
| SCHEMBL16444934 | 0.61 | CYP2C9 (0.31) | — | |
| SCHEMBL15230161 | 0.61 | TSHR (0.40) | — | |
| SCHEMBL576338 | 0.59 | PGK1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2820026-B1 | PROCESS FOR PRODUCING PHOSPHINIC ACID ESTERS | MERCK PATENT GMBH (DE) | 2016-01-13 | — | — | EP | disclosed |
| 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 |
| EP-2820026-A1 | PROCESS FOR PRODUCING PHOSPHINIC ACID ESTERS | Merck Patent GmbH (DE) | 2015-01-07 | — | — | EP | disclosed |
| WO-2013127493-A1 | PROCESS FOR PRODUCING PHOSPHINIC ACID ESTERS | MERCK PATENT GMBH (DE) | 2013-09-06 | — | — | WO | disclosed |