⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2041555 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL16703075 | 0.70 | — | — | |
| SCHEMBL19059405 | 0.69 | — | — | |
| SCHEMBL2235440 | 0.69 | — | — | |
| SCHEMBL13244515 | 0.69 | TSHR (0.34) | — | |
| SCHEMBL20055271 | 0.69 | — | — | |
| SCHEMBL10400642 | 0.67 | CRBN (0.44) | — | |
| SCHEMBL22142942 | 0.67 | CA1 (0.43) | — | |
| SCHEMBL19062578 | 0.65 | — | — | |
| SCHEMBL1692349 | 0.64 | GAA (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 |
|---|---|---|---|---|---|---|---|
| CN-101454282-B | Process for producing heterocyclic mercapto compound | SHOWA DENKO KK | 2012-07-04 | — | — | CN | disclosed |
| EP-0800516-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | NIPPON STEEL CORPORATION (JP) | 1997-10-15 | — | — | EP | disclosed |
| WO-1996020172-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED β-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | NIPPON STEEL CORPORATION (JP) | 1996-07-04 | — | — | WO | disclosed |
| CN-1029999-C | Reduction of terminal carboxyl groups in polyesters with lactim ethers | ALLIED SIGNAL INC (US) | 1995-10-11 | — | — | CN | disclosed |
| CN-1035534-A | Reduce terminal carboxyl group in the polyester with the lactim ethers | ALLIED SIGNAL INC (US) | 1989-09-13 | — | — | CN | disclosed |