⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2917853 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28035645 | 0.91 | — | — | |
| Methane SCHEMBL27588159 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL27734425 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL27661442 | 0.87 | LMNA (0.39) | — | |
| Ethane SCHEMBL28177104 | 0.87 | — | — | |
| Cyclohexane SCHEMBL27505705 | 0.84 | ALOX5 (0.39) | — | |
| Cyclopentane SCHEMBL28068666 | 0.84 | ALOX5 (0.39) | — | |
| Benzene SCHEMBL27502346 | 0.84 | ACHE (0.43) | — | |
| Phosphoric Acid SCHEMBL8578971 | 0.81 | CA4 (0.38) | — |
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-106390118-A | SLIT-ROBO SIGNALING FOR DIAGNOSIS AND TREATMENT OF KIDNEY DISEASE | 波士顿医疗中心有限公司 | 2017-02-15 | — | — | CN | disclosed |