Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of 4,4-Difluoro-Piperidinium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| 4,4-Difluoro-Piperidinium SCHEMBL13457 | 0.96 | — | — | |
| 4,4-Difluoro-Piperidinium SCHEMBL16582 | 0.93 | — | — | |
| 4,4-Difluoro-Piperidinium SCHEMBL27142480 | 0.93 | HIF1A (0.33) | — | |
| 4,4-Difluoro-Piperidinium SCHEMBL1000443 | 0.93 | — | — | |
| 4,4-Difluoro-Piperidinium SCHEMBL19410291 | 0.93 | — | — | |
| 4,4-Difluoro-Piperidinium SCHEMBL22288728 | 0.90 | — | — | |
| SCHEMBL2519854 | 0.84 | — | — | |
| 4,4-Difluoro-Piperidinium SCHEMBL28740341 | 0.84 | — | — | |
| SCHEMBL21039320 | 0.82 | CXCR4 (0.42) | — | |
| Hydrochloric Acid SCHEMBL937458 | 0.82 | CXCR4 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117560979-A | Perovskite film preparation method and application thereof in solar cell device | 南开大学 | 2024-02-13 | — | — | CN | claimed |
| CN-117222238-A | High-efficiency stable solar cell with pure-phase two-dimensional/three-dimensional tin-based perovskite thin film and preparation method thereof | 山东大学 | 2023-12-12 | — | — | CN | claimed |
| CN-117560979-A | Perovskite film preparation method and application thereof in solar cell device | 南开大学 | 2024-02-13 | — | — | CN | disclosed |
| CN-117222238-A | High-efficiency stable solar cell with pure-phase two-dimensional/three-dimensional tin-based perovskite thin film and preparation method thereof | 山东大学 | 2023-12-12 | — | — | CN | disclosed |