⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10694971 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL11007133 | 0.83 | TDP1 (0.32) | — | |
| SCHEMBL10697008 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL23248621 | 0.80 | CA2 (0.37) | — | |
| SCHEMBL8935945 | 0.80 | CA2 (0.37) | — | |
| SCHEMBL8317615 | 0.78 | — | — | |
| SCHEMBL5015012 | 0.78 | CA2 (0.38) | — | |
| SCHEMBL9505796 | 0.75 | ECE1 (0.36) | — | |
| SCHEMBL7455318 | 0.75 | — | — | |
| SCHEMBL9636299 | 0.74 | CASP1 (0.32) | — |
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-5419894-A | Complexing agents, complexes and complex salts | SCHERING AKTIENGESELLSCHAFT (DE) | 1995-05-30 | — | — | US | disclosed |
| US-5316756-A | Administering contrast medium of carboxyamine containing compounds | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-05-31 | — | — | US | disclosed |