⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19584847 | 1.00 | — | — | |
| SCHEMBL2592393 | 0.78 | CYP1A2 (0.37) | — | |
| SCHEMBL166454 | 0.77 | — | — | |
| SCHEMBL9315437 | 0.77 | — | — | |
| Methylmalonic Acid SCHEMBL27867537 | 0.75 | TP53 (0.44) | — | |
| SCHEMBL628752 | 0.74 | — | — | |
| SCHEMBL2430808 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL5143413 | 0.74 | LDHA (0.42) | — | |
| SCHEMBL6577704 | 0.74 | — | — | |
| SCHEMBL7532666 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004104176-A2 | METHOD FOR THE IDENTIFICATION OF INHIBITORS OF ORNITHINE CARBAMOYLTRANSFERASE, KETOL-ACID REDUCTOISOMERASE, AND FUNGAL PATHOGENICITY-CONFERRING GENE AS ANTIBIOTICS | PARADIGM GENETICS, INC. (US) | 2004-12-02 | — | — | WO | disclosed |
| CN-1329500-A | Anti-dandruff composition comprising antifungal polypeptide | NOVO AS (DK) | 2002-01-02 | — | — | CN | disclosed |