⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23230398 | 0.71 | CHRNB2 (0.43) | — | |
| SCHEMBL19798634 | 0.71 | — | — | |
| SCHEMBL1923010 | 0.69 | GRM2 (0.35) | — | |
| SCHEMBL12420565 | 0.69 | GRM2 (0.35) | — | |
| SCHEMBL31203847 | 0.68 | SRD5A2 (0.30) | — | |
| SCHEMBL20640998 | 0.68 | SRD5A2 (0.30) | — | |
| SCHEMBL25017484 | 0.67 | CHRNB2 (0.33) | — | |
| SCHEMBL25177787 | 0.67 | CHRNB2 (0.33) | — | |
| SCHEMBL25699206 | 0.67 | CHRNB2 (0.33) | — | |
| SCHEMBL25699204 | 0.67 | CHRNB2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10202388-B2 | Fused-ring compounds, pharmaceutical composition and uses thereof | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2019-02-12 | — | — | US | disclosed |
| US-20180022752-A1 | FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2018-01-25 | — | — | US | disclosed |
| US-20180022752-A1 | FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2018-01-25 | — | — | US | disclosed |