⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1119103 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL28173328 | 0.95 | — | — | |
| SCHEMBL10567055 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28202037 | 0.93 | ALDH1A1 (0.50) | — | |
| Benzene SCHEMBL27532007 | 0.91 | ALDH1A1 (0.48) | — | |
| SCHEMBL28111058 | 0.83 | ALDH1A1 (0.46) | — | |
| SCHEMBL460009 | 0.83 | — | — | |
| SCHEMBL12393350 | 0.82 | ALDH1A1 (0.44) | — | |
| SCHEMBL5908133 | 0.82 | TSHR (0.56) | — | |
| SCHEMBL8330818 | 0.82 | TSHR (0.56) | — |
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-105153164-A | Dihydropyrimidocyclic derivative taken as HBV inhibitor | NANJING MINGDE NEW DRUG RES AND DEV CO LTD | 2015-12-16 | — | — | CN | disclosed |