⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5013694 | 0.85 | — | — | |
| SCHEMBL11314685 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL5014143 | 0.72 | CYP3A4 (0.32) | — | |
| SCHEMBL8846964 | 0.72 | — | — | |
| SCHEMBL1863477 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL5576466 | 0.68 | KDM4E (0.31) | — | |
| SCHEMBL9582375 | 0.68 | KDM4E (0.36) | — | |
| SCHEMBL9388096 | 0.67 | — | — | |
| SCHEMBL9754335 | 0.65 | — | — | |
| SCHEMBL7538292 | 0.65 | — | — |
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-104021298-A | Method for predicting redox property of beta-enamine ketone group-substituted four-amino phenyl porphyrin through density functional theory (DFT) | UNIV NORTHWEST NORMAL | 2014-09-03 | — | — | CN | disclosed |
| CN-103772399-A | Preparation method and use of basic amino acid modified amidotetraphenylporphyrin compound | INST BIOMEDICAL ENG CAMS | 2014-05-07 | — | — | CN | disclosed |