⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL28166108 | 0.87 | — | — | |
| SCHEMBL28213821 | 0.87 | GSK3A (0.32) | — | |
| SCHEMBL11885266 | 0.77 | S100A4 (0.39) | — | |
| Ethane SCHEMBL28572139 | 0.73 | — | — | |
| SCHEMBL11886118 | 0.73 | — | — | |
| SCHEMBL28256298 | 0.72 | GSK3A (0.32) | — | |
| SCHEMBL1163598 | 0.69 | MAOA (0.44) | — | |
| SCHEMBL1163904 | 0.69 | — | — | |
| Ethylamine SCHEMBL28676595 | 0.64 | GSK3A (0.65) | — | |
| Ammonia Solution, Strong SCHEMBL2328420 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107708810-A | Conjugates of cysteine engineered antibodies | 伊缪诺金公司 | 2018-02-16 | — | — | CN | disclosed |