Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Phosphine. 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL31302818 | 0.97 | ALDH1A1 (0.32) | — | |
| Iodide SCHEMBL22034509 | 0.97 | — | — | |
| Phosphine SCHEMBL27979681 | 0.93 | — | — | |
| SCHEMBL305550 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL27707216 | 0.90 | ALDH1A1 (0.32) | — | |
| Bromide SCHEMBL18762448 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL3948145 | 0.90 | — | — | |
| SCHEMBL27979679 | 0.81 | ALDH1A1 (0.30) | — | |
| Phosphoric Acid SCHEMBL25316929 | 0.81 | BBOX1 (0.30) | — | |
| Sulfuric Acid SCHEMBL7127658 | 0.77 | NLRP3 (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 |
|---|---|---|---|---|---|---|---|
| CN-101605781-B | Aryl carboxylic acid cyclohexyl amide derivatives | NOVARTIS AG | 2014-08-13 | — | — | CN | disclosed |
| CN-101605781-A | Aryl carboxylic acid cyclohexyl amide derivatives | NOVARTIS AG (CH) | 2009-12-16 | — | — | CN | disclosed |
| CN-101516874-A | Pyrrole derivatives for the treatment of cytokine mediated diseases | NOVARTIS AG (CH) | 2009-08-26 | — | — | CN | disclosed |