⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9544764 | 0.81 | CA1 (0.48) | — | |
| SCHEMBL23966870 | 0.76 | ACHE (0.38) | — | |
| SCHEMBL22341499 | 0.74 | MAOA (0.44) | — | |
| SCHEMBL21035917 | 0.73 | MAOA (0.40) | — | |
| SCHEMBL1146090 | 0.70 | CYP1A1 (0.48) | — | |
| SCHEMBL1041062 | 0.70 | ALDH1A3 (0.52) | — | |
| SCHEMBL1047190 | 0.66 | IDO1 (0.41) | — | |
| SCHEMBL5253224 | 0.66 | — | — | |
| SCHEMBL40884 | 0.61 | CA1 (0.69) | — | |
| SCHEMBL10761 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993013089-A1 | MACROCYCLIC POLYETHER CARBOXYLIC ACIDS | URBAN FRANK J (US) | 1993-07-08 | — | — | WO | disclosed |