⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10079023 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL22771553 | 0.74 | — | — | |
| SCHEMBL19454615 | 0.72 | — | — | |
| SCHEMBL6576332 | 0.72 | CYP2C19 (0.38) | — | |
| SCHEMBL20825744 | 0.72 | — | — | |
| SCHEMBL9886741 | 0.72 | CYP2C19 (0.39) | — | |
| Diethylamine SCHEMBL9099011 | 0.71 | TP53 (0.53) | — | |
| Chloromethane SCHEMBL8760629 | 0.70 | TET2 (0.36) | — | |
| Diethylamine SCHEMBL10837356 | 0.69 | — | — | |
| SCHEMBL5839565 | 0.69 | CYP2C19 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018086139-A1 | CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS | HANGZHOU DAC BIOTECH CO., LTD (CN) | 2018-05-17 | — | — | WO | disclosed |