⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18542716 | 1.00 | — | — | |
| SCHEMBL17813072 | 1.00 | — | — | |
| SCHEMBL18542717 | 1.00 | — | — | |
| SCHEMBL16002489 | 0.93 | — | — | |
| SCHEMBL15297071 | 0.93 | — | — | |
| SCHEMBL14765442 | 0.86 | ABCB1 (0.32) | — | |
| SCHEMBL19648722 | 0.85 | — | — | |
| SCHEMBL18542092 | 0.83 | ABCB1 (0.32) | — | |
| SCHEMBL18542813 | 0.83 | ABCB1 (0.32) | — | |
| SCHEMBL18481586 | 0.81 | ABCB1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180110871-A1 | DUAL DISULFIDE DRUG CONJUGATES | ENDOCYTE INC (US) | 2018-04-26 | — | — | US | disclosed |