⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2581495 | 0.83 | TDP1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL9636444 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL8155467 | 0.73 | ALDH1A1 (0.47) | — | |
| SCHEMBL2241931 | 0.71 | — | — | |
| SCHEMBL147275 | 0.71 | — | — | |
| SCHEMBL6295436 | 0.69 | ALDH1A1 (0.74) | — | |
| SCHEMBL18220813 | 0.69 | ALDH1A1 (0.58) | — | |
| SCHEMBL6203435 | 0.69 | — | — | |
| SCHEMBL4128652 | 0.69 | CA1 (0.69) | — | |
| SCHEMBL122381 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5373093-A | Macrocyclic complexes of yttrium, the lanthanides and the actinides having peripheral coupling functionalities | NEWPORT INSTRUMENTS | 1994-12-13 | — | — | US | disclosed |