⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23919081 | 0.81 | — | — | |
| SCHEMBL20144614 | 0.81 | EPHX2 (0.38) | — | |
| SCHEMBL22192126 | 0.80 | — | — | |
| SCHEMBL21648645 | 0.79 | NAAA (0.44) | — | |
| SCHEMBL24770415 | 0.79 | NAAA (0.44) | — | |
| SCHEMBL19708675 | 0.79 | — | — | |
| SCHEMBL18776179 | 0.78 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL26049973 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL18867375 | 0.77 | KMT2A (0.32) | — | |
| SCHEMBL18782758 | 0.77 | PSMB8 (0.31) | — |
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-10729738-B2 | Hindered disulfide drug conjugates | GENENTECH, INC. (US) | 2020-08-04 | — | — | US | disclosed |
| US-20170112891-A1 | HINDERED DISULFIDE DRUG CONJUGATES | GENENTECH INC (US) | 2017-04-27 | — | — | US | disclosed |