⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL278417 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL6522761 | 0.69 | — | — | |
| SCHEMBL8607803 | 0.63 | MEN1 (0.31) | — | |
| SCHEMBL1935346 | 0.62 | — | — | |
| SCHEMBL8516968 | 0.62 | — | — | |
| SCHEMBL8043393 | 0.62 | — | — | |
| SCHEMBL20656 | 0.60 | TSHR (0.43) | — | |
| SCHEMBL7177724 | 0.60 | ALDH1A1 (0.35) | — | |
| SCHEMBL11070461 | 0.60 | ALDH1A1 (0.35) | — | |
| SCHEMBL7549527 | 0.60 | TSHR (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-4232271-A | — | — | None | — | — | JP | disclosed |
| JP-H04232271-A | DEPOSITING METHOD OF LAYER CONTAINING COPPER ON SUBSTRATE | KALI CHEM AG | 1992-08-20 | — | — | JP | disclosed |