⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18557263 | 0.66 | HSD17B10 (0.35) | — | |
| SCHEMBL9891029 | 0.64 | — | — | |
| SCHEMBL11627605 | 0.62 | — | — | |
| SCHEMBL12240886 | 0.62 | — | — | |
| SCHEMBL15615923 | 0.58 | LMNA (0.45) | — | |
| SCHEMBL2769165 | 0.57 | — | — | |
| SCHEMBL2834119 | 0.56 | CNR2 (0.34) | — | |
| SCHEMBL16885247 | 0.56 | CNR2 (0.39) | — | |
| SCHEMBL13612712 | 0.56 | ALDH1A1 (0.38) | — | |
| SCHEMBL14547243 | 0.56 | CNR2 (0.35) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220135525-A1 | Carbondisulfide Derived Zwitterions | DALY THOMAS (US) | 2022-05-05 | — | — | US | disclosed |
| US-10975027-B2 | Carbondisulfide derived zwitterions | DALY THOMAS (US) | 2021-04-13 | — | — | US | disclosed |
| US-20200331853-A1 | Carbondisulfide Derived Zwitterions | DALY THOMAS (US) | 2020-10-22 | — | — | US | disclosed |
| US-10696628-B2 | Carbondisulfide derived zwitterions | TPAT IP LLC (US) | 2020-06-30 | — | — | US | disclosed |
| US-20190233372-A1 | Carbondisulfide Derived Zwitterions | TPAT IP LLC | 2019-08-01 | — | — | US | disclosed |
| US-10259783-B2 | Carbondisulfide derived zwitterions | TPAT IP LLC | 2019-04-16 | — | — | US | disclosed |
| US-20170275248-A1 | Carbondisulfide Derived Zwitterions | TPAT IP LLC | 2017-09-28 | — | — | US | disclosed |
| US-9676709-B2 | Carbondisulfide derived zwitterions | TPAT IP LLC | 2017-06-13 | — | — | US | disclosed |
| US-20170129853-A1 | Carbondisulfide Derived Zwitterions | TPAT IP LLC | 2017-05-11 | — | — | US | disclosed |
| US-9580385-B2 | Carbondisulfide derived zwitterions | TPAT IP LLC | 2017-02-28 | — | — | US | disclosed |