⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26517 | 0.97 | — | — | |
| SCHEMBL27490451 | 0.94 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL28476554 | 0.87 | ACHE (0.41) | — | |
| SCHEMBL27522230 | 0.87 | ACHE (0.41) | — | |
| Zinc Chloride SCHEMBL28067943 | 0.87 | ACHE (0.41) | — | |
| SCHEMBL28737718 | 0.87 | ACHE (0.41) | — | |
| SCHEMBL2095994 | 0.82 | TAAR1 (0.54) | — | |
| SCHEMBL5541876 | 0.77 | MMP2 (0.40) | — | |
| SCHEMBL10546679 | 0.77 | HAO1 (0.46) | — | |
| Ethylene SCHEMBL27888003 | 0.76 | ACHE (0.55) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109952301-A | 5-HT2C receptor agonists and compositions and methods of use | 艾尼纳制药公司 | 2019-06-28 | — | — | CN | disclosed |
| CN-105008344-A | Bruton's tyrosine kinase inhibitors | PFIZER | 2015-10-28 | — | — | CN | disclosed |
| CN-1370176-A | Subsstituted heterocycle fused gamma-carbolines | BRISTOL MYERS SQUIBB CO (US) | 2002-09-18 | — | — | CN | disclosed |