⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9746072 | 0.69 | — | — | |
| SCHEMBL28498408 | 0.54 | — | — | |
| SCHEMBL17138378 | 0.47 | — | — | |
| SCHEMBL140385 | 0.47 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL10800556 | 0.45 | — | — | |
| SCHEMBL10774322 | 0.45 | — | — | |
| SCHEMBL31078008 | 0.45 | — | — | |
| SCHEMBL3171092 | 0.44 | — | — | |
| Isobutane SCHEMBL1517463 | 0.44 | — | — | |
| Isobutane SCHEMBL7741602 | 0.40 | — | — |
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-5100762-A | Radiation-sensitive polymer and radiation-sensitive composition containing the same | MITSUBISHI DENKI KABUSHIKI KAISHA (JP) | 1992-03-31 | — | — | US | disclosed |