⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5379862 | 0.75 | ALDH1A1 (0.56) | — | |
| SCHEMBL27689162 | 0.75 | — | — | |
| SCHEMBL10442889 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL11230311 | 0.73 | ALDH1A1 (0.53) | — | |
| SCHEMBL5666084 | 0.73 | — | — | |
| SCHEMBL9750691 | 0.73 | — | — | |
| Ethylene SCHEMBL11764647 | 0.71 | — | — | |
| SCHEMBL11454496 | 0.71 | — | — | |
| SCHEMBL13132156 | 0.71 | — | — | |
| SCHEMBL3858013 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0721465-A1 | GLUTATHIONE S-TRANSFERASE-ACTIVATED COMPOUNDS | TERRAPIN TECHNOLOGIES, INC. (US) | 1996-07-17 | — | — | EP | disclosed |
| WO-1995009866-A1 | GLUTATHIONE S-TRANSFERASE-ACTIVATED COMPOUNDS | TERRAPIN TECHNOLOGIES, INC. (US) | 1995-04-13 | — | — | WO | disclosed |