Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of 4-Bromoaniline. 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-Bromoaniline SCHEMBL45481 | 0.96 | — | — | |
| 4-Bromoaniline SCHEMBL22289673 | 0.93 | — | — | |
| 4-Bromoaniline SCHEMBL2580141 | 0.93 | — | — | |
| 4-Bromoaniline SCHEMBL28002358 | 0.93 | — | — | |
| 4-Bromoaniline SCHEMBL4372833 | 0.93 | ALDH1A1 (0.93) | — | |
| 4-Bromoaniline SCHEMBL9491015 | 0.93 | — | — | |
| 4-Bromoaniline SCHEMBL28834526 | 0.90 | ALDH1A1 (0.87) | — | |
| 4-Bromoaniline SCHEMBL27577335 | 0.87 | ALDH1A1 (0.81) | — | |
| 4-Bromoaniline SCHEMBL27835224 | 0.87 | ALDH1A1 (0.81) | — | |
| 4-Bromoaniline SCHEMBL27779930 | 0.87 | ALDH1A1 (0.81) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115884611-A | CsPbI 3 Perovskite solar cell and preparation method thereof | 北京科技大学 | 2023-03-31 | — | — | CN | claimed |
| CN-115884611-B | CsPbI 3 Perovskite solar cell and preparation method thereof | 北京科技大学 | 2023-06-27 | — | — | CN | disclosed |
| CN-115884611-A | CsPbI 3 Perovskite solar cell and preparation method thereof | 北京科技大学 | 2023-03-31 | — | — | CN | disclosed |