⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL95358 | 0.92 | TSHR (0.63) | — | |
| SCHEMBL4397499 | 0.89 | TSHR (0.68) | — | |
| SCHEMBL607486 | 0.88 | — | — | |
| SCHEMBL1083375 | 0.88 | — | — | |
| SCHEMBL27946380 | 0.84 | TSHR (0.79) | — | |
| SCHEMBL2532 | 0.84 | — | — | |
| SCHEMBL7297980 | 0.83 | TSHR (0.68) | — | |
| SCHEMBL96135 | 0.83 | TSHR (0.68) | — | |
| SCHEMBL96281 | 0.83 | TSHR (0.68) | — | |
| Formaldehyde SCHEMBL9138613 | 0.81 | TSHR (0.65) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5827862-A | CARBOSTYRIL OR BENZAZEPINE DERIVATIVES | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1998-10-27 | — | — | US | claimed |
| CN-114728914-B | Dioxopiperazine derivative, preparation method thereof and application thereof in medicines | 深圳信立泰药业股份有限公司 | 2023-05-12 | — | — | CN | disclosed |