⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10025680 | 0.81 | ADRB1 (0.33) | — | |
| SCHEMBL14962429 | 0.80 | — | — | |
| SCHEMBL19705565 | 0.80 | HTR2C (0.33) | — | |
| Hydrochloric Acid SCHEMBL14956310 | 0.79 | ADRB2 (0.31) | — | |
| SCHEMBL10025712 | 0.77 | SCN9A (0.33) | — | |
| SCHEMBL27779351 | 0.77 | KCNH2 (0.34) | — | |
| SCHEMBL14956735 | 0.76 | LIPG (0.30) | — | |
| SCHEMBL10025631 | 0.76 | CTSS (0.30) | — | |
| SCHEMBL14955967 | 0.75 | HTR2A (0.33) | — | |
| SCHEMBL27779676 | 0.74 | HRH4 (0.30) | — |
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-101641360-A | Piperazine derivatives, preparation method and medical application thereof | SHANGHAI HENGRUI PHARM CO LTD | 2010-02-03 | — | — | CN | disclosed |