⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22558 | 0.97 | — | — | |
| SCHEMBL11041635 | 0.94 | TSHR (0.48) | — | |
| SCHEMBL11014727 | 0.94 | — | — | |
| SCHEMBL7229497 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL7237664 | 0.80 | TSHR (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL28111628 | 0.78 | — | — | |
| SCHEMBL4812651 | 0.78 | — | — | |
| SCHEMBL11133563 | 0.77 | LMNA (0.42) | — | |
| SCHEMBL27833074 | 0.77 | — | — | |
| SCHEMBL72471 | 0.77 | LMNA (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-103878036-A | Separation analysis or separation preparation method of alkaline compound with strong polarity | DALIAN CHEMICAL PHYSICS INST | 2014-06-25 | — | — | CN | claimed |