⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1899438 | 0.86 | SLC6A1 (0.43) | — | |
| SCHEMBL7451085 | 0.84 | GABRA1 (0.40) | — | |
| SCHEMBL28496040 | 0.78 | MAN1B1 (0.35) | — | |
| SCHEMBL19544697 | 0.75 | — | — | |
| Phosphoric Acid SCHEMBL28329151 | 0.70 | SLC6A1 (0.35) | — | |
| SCHEMBL6677874 | 0.70 | TSHR (0.37) | — | |
| SCHEMBL4954695 | 0.68 | — | — | |
| SCHEMBL19212088 | 0.68 | GRM4 (0.39) | — | |
| SCHEMBL25175677 | 0.65 | INPP5A (0.44) | — | |
| SCHEMBL22479135 | 0.65 | INPP5A (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104812766-A | Method for synthesis of aminoalkylenephosphonic acid | STRAITMARK HOLDING AG | 2015-07-29 | — | — | CN | disclosed |
| EP-1470137-A4 | EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2005-06-15 | — | — | EP | disclosed |
| EP-1470137-A1 | EDG RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2004-10-27 | — | — | EP | disclosed |
| WO-2003062252-A1 | EDG RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2003-07-31 | — | — | WO | disclosed |
| US-5470844-A | Heterocyclic-NMDA antagonists | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-11-28 | — | — | US | disclosed |