⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15160584 | 0.68 | HRH3 (0.33) | — | |
| SCHEMBL194472 | 0.61 | PSEN1 (0.41) | — | |
| SCHEMBL7980360 | 0.61 | LMNA (0.30) | — | |
| SCHEMBL7980358 | 0.61 | LMNA (0.30) | — | |
| Hydrochloric Acid SCHEMBL11490460 | 0.60 | LMNA (0.57) | — | |
| SCHEMBL7978715 | 0.59 | — | — | |
| SCHEMBL11185896 | 0.59 | HTR6 (0.30) | — | |
| SCHEMBL15160575 | 0.58 | HRH3 (0.37) | — | |
| Hydrochloric Acid SCHEMBL7980475 | 0.58 | — | — | |
| SCHEMBL12644103 | 0.58 | APOBEC3A (0.38) | — |
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-117279896-A | Amino substituted pyrido ring compounds, preparation method and application thereof | 劲方医药科技(上海)有限公司 | 2023-12-22 | — | — | CN | disclosed |
| WO-2022214044-A1 | AMINE-SUBSTITUTED PYRIDINE FUSED RING COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2022-10-13 | — | — | WO | disclosed |