⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2453591 | 0.60 | — | — | |
| Ammonia Solution, Strong SCHEMBL15487039 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL2443920 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL3128048 | 0.60 | — | — | |
| SCHEMBL11315691 | 0.58 | — | — | |
| SCHEMBL146164 | 0.58 | — | — | |
| SCHEMBL8942116 | 0.57 | — | — | |
| SCHEMBL8942113 | 0.57 | — | — | |
| SCHEMBL828805 | 0.57 | — | — | |
| Methane SCHEMBL11216534 | 0.57 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240336629-A1 | Tricyclic Derivatives Useful As PARP7 Inhibitors | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2024-10-10 | — | — | US | claimed |
| CN-116724044-A | Tri-heterocyclic compound, preparation method and application thereof | 上海湃隆生物科技有限公司 | 2023-09-08 | — | — | CN | disclosed |
| CN-114539263-B | Nitrogen-containing heterocyclic compound, and pharmaceutical composition and application thereof | 暨南大学 | 2023-04-25 | — | — | CN | disclosed |
| WO-2022166749-A1 | TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 上海湃隆生物科技有限公司 | 2022-08-11 | — | — | WO | disclosed |
| US-5438118-A | Peptide mimics having constrained peptide backbone | SMITHKLINE BEECHMAN CORP. (US) | 1995-08-01 | — | — | US | disclosed |