⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3126363 | 0.61 | — | — | |
| SCHEMBL2141699 | 0.59 | CYP2C19 (0.53) | — | |
| Hydrochloric Acid SCHEMBL4609125 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL10395968 | 0.57 | CYP2C19 (0.50) | — | |
| Bromide SCHEMBL11799522 | 0.57 | CYP2C19 (0.50) | — | |
| SCHEMBL25785329 | 0.57 | — | — | |
| SCHEMBL215590 | 0.56 | CYP1A2 (0.60) | — | |
| SCHEMBL28515887 | 0.55 | HSD17B10 (0.30) | — | |
| SCHEMBL188048 | 0.55 | HSD17B10 (0.30) | — | |
| SCHEMBL27642421 | 0.55 | MAOA (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 |
|---|---|---|---|---|---|---|---|
| EP-3271329-B1 | NOVEL HYDROPHILIC LINKERS AND LIGAND-DRUG CONJUGATES THEREOF | HANGZHOU DAC BIOTECH CO LTD (CN) | 2021-08-18 | — | — | EP | disclosed |