⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18650394 | 0.91 | — | — | |
| SCHEMBL18650378 | 0.83 | — | — | |
| SCHEMBL18653862 | 0.79 | — | — | |
| SCHEMBL18650382 | 0.78 | — | — | |
| SCHEMBL18650398 | 0.75 | — | — | |
| SCHEMBL18650392 | 0.74 | — | — | |
| SCHEMBL18650372 | 0.73 | — | — | |
| SCHEMBL17928317 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL18631759 | 0.70 | — | — | |
| SCHEMBL18653861 | 0.70 | — | — |
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-9630918-B2 | Cysteine, N-acetylcysteine, and penicillamine related compounds, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2017-04-25 | — | — | US | disclosed |
| US-20170081280-A1 | CYSTEINE, N-ACETYLCYSTEINE, AND PENICILLAMINE RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | Nguyen, Mark Quang (US) | 2017-03-23 | — | — | US | disclosed |