⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16673754 | 0.73 | TP53 (0.35) | — | |
| SCHEMBL2051255 | 0.73 | TP53 (0.35) | — | |
| SCHEMBL8000398 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL6178751 | 0.69 | — | — | |
| SCHEMBL28813273 | 0.69 | — | — | |
| SCHEMBL1289700 | 0.69 | — | — | |
| SCHEMBL18168718 | 0.67 | GRIK1 (0.35) | — | |
| SCHEMBL7350591 | 0.67 | — | — | |
| SCHEMBL8100654 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL29201857 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102532189-B | Preparation method of super-molecule metal gel | UNIV NORTHWEST NORMAL | 2014-07-23 | — | — | CN | claimed |
| WO-2018035281-A1 | NORTHERN-SOUTHERN ROUTE TO SYNTHESIS OF BACTERIOCHLORINS | NORTH CAROLINA STATE UNIVERSITY (US) | 2018-02-22 | — | — | WO | disclosed |
| CN-102532189-B | Preparation method of super-molecule metal gel | UNIV NORTHWEST NORMAL | 2014-07-23 | — | — | CN | disclosed |
| WO-2007064842-A2 | SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES | NORTH CAROLINA STATE UNIVERSITY (US) | 2007-06-07 | — | — | WO | disclosed |
| WO-2007018808-A2 | METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF PORPHYRINS | NORTH CAROLINA STATE UNIVERSITY (US) | 2007-02-15 | — | — | WO | disclosed |