⚠ 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 | |
|---|---|---|---|---|
| Perchlorate SCHEMBL2802339 | 1.00 | — | — | |
| Perchlorate SCHEMBL1136490 | 0.93 | — | — | |
| Perchlorate SCHEMBL6611 | 0.93 | — | — | |
| Perchlorate SCHEMBL29453481 | 0.93 | — | — | |
| Perchlorate SCHEMBL29351553 | 0.93 | — | — | |
| Perchlorate SCHEMBL887035 | 0.86 | — | — | |
| Perchlorate SCHEMBL8974578 | 0.86 | — | — | |
| Perchlorate SCHEMBL852781 | 0.86 | — | — | |
| Perchlorate SCHEMBL3287876 | 0.86 | — | — | |
| Perchlorate SCHEMBL1551406 | 0.86 | — | — |
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-20100213073-A1 | BATH FOR ELECTROPLATING A I-III-VI COMPOUND, USE THEREOF AND STRUCTURES CONTAINING SAME | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2010-08-26 | — | — | US | disclosed |