⚠ 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 | |
|---|---|---|---|---|
| Praxadine SCHEMBL3086435 | 1.00 | — | — | |
| Praxadine SCHEMBL94070 | 0.98 | — | — | |
| Praxadine SCHEMBL52095 | 0.95 | — | — | |
| Praxadine SCHEMBL3579034 | 0.95 | NOS1 (0.95) | — | |
| Praxadine SCHEMBL5396070 | 0.84 | NOS1 (0.74) | — | |
| Praxadine SCHEMBL8132131 | 0.82 | NOS1 (0.71) | — | |
| Praxadine SCHEMBL31705643 | 0.82 | — | — | |
| Praxadine SCHEMBL2301207 | 0.80 | NOS1 (0.67) | — | |
| SCHEMBL14936408 | 0.77 | NOS1 (0.65) | — | |
| SCHEMBL5378534 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107787321-B | Novel5-HT2Antagonists | 安娜玛有限公司 | 2021-10-01 | — | — | CN | disclosed |
| CN-107787321-A | New 5 HT2Antagonist | 安娜玛有限公司 | 2018-03-09 | — | — | CN | disclosed |