⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8500900 | 0.91 | — | — | |
| SCHEMBL36386 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL36387 | 0.79 | ALDH1A1 (0.39) | — | |
| Hydrogen Peroxide SCHEMBL27856177 | 0.79 | TDP1 (0.30) | — | |
| SCHEMBL9222605 | 0.77 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL8736340 | 0.77 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL8736336 | 0.77 | ALDH1A1 (0.38) | — | |
| Acetone SCHEMBL20596813 | 0.77 | LMNA (0.33) | — | |
| Acetone SCHEMBL20596814 | 0.77 | LMNA (0.33) | — | |
| Methacrylic Acid SCHEMBL8862317 | 0.74 | TDP1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5080171-A | Free radical generator | THE DOW CHEMICAL COMPANY (US) | 1992-01-14 | — | — | US | claimed |
| US-5080171-A | Free radical generator | THE DOW CHEMICAL COMPANY (US) | 1992-01-14 | — | — | US | disclosed |