⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27756879 | 0.82 | — | — | |
| SCHEMBL27608922 | 0.74 | NPC1 (0.33) | — | |
| SCHEMBL7766488 | 0.73 | HTT (0.35) | — | |
| SCHEMBL27590523 | 0.72 | BCHE (0.30) | — | |
| SCHEMBL27590506 | 0.72 | NPC1 (0.32) | — | |
| SCHEMBL27606465 | 0.71 | P2RX4 (0.35) | — | |
| SCHEMBL28756718 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL27629689 | 0.70 | MTNR1A (0.32) | — | |
| SCHEMBL27629478 | 0.69 | HDAC3 (0.33) | — | |
| SCHEMBL27610601 | 0.69 | PPARG (0.41) | — |
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-101400675-A | Novel enantiomerically pure beta-agonists, method for their production and their use as medicaments | BOEHRINGER INGELHEIM INT (DE) | 2009-04-01 | — | — | CN | disclosed |