⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30167961 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL28777937 | 0.59 | — | — | |
| SCHEMBL464605 | 0.58 | — | — | |
| Isothiocyanate SCHEMBL22574839 | 0.58 | — | — | |
| SCHEMBL14164129 | 0.56 | — | — | |
| SCHEMBL452053 | 0.56 | — | — | |
| SCHEMBL2439268 | 0.56 | — | — | |
| SCHEMBL6653692 | 0.56 | — | — | |
| SCHEMBL344363 | 0.56 | — | — | |
| Methylisothiocyanate SCHEMBL3152 | 0.56 | — | — |
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-6056939-A | Self-assembling heteropolymetallic chelates as imaging agents and radiopharmaceuticals | BRACCO IMAGING S.P.A. (IT) | 2000-05-02 | — | — | US | disclosed |