⚠ 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 | |
|---|---|---|---|---|
| Carbon Dioxide SCHEMBL18204556 | 0.94 | TSHR (0.43) | — | |
| Carbon Dioxide SCHEMBL17002989 | 0.94 | TSHR (0.43) | — | |
| Carbon Dioxide SCHEMBL16013760 | 0.94 | TSHR (0.43) | — | |
| Carbon Dioxide SCHEMBL149131 | 0.94 | — | — | |
| Carbon Dioxide SCHEMBL18204551 | 0.94 | TSHR (0.43) | — | |
| Carbon Dioxide SCHEMBL28470473 | 0.94 | — | — | |
| Carbon Dioxide SCHEMBL11830194 | 0.88 | — | — | |
| Carbon Dioxide SCHEMBL28211232 | 0.88 | — | — | |
| Carbon Dioxide SCHEMBL7054604 | 0.88 | — | — | |
| Carbon Dioxide SCHEMBL11830191 | 0.88 | — | — |
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-4450017-A | TREATMENT OF THIN SHEET STEEL USED FOR ELECTRICAL MOTORS AND TRANSFORMERS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1984-05-22 | — | — | US | disclosed |