⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18135602 | 0.88 | — | — | |
| SCHEMBL20437841 | 0.75 | TYR (0.47) | — | |
| SCHEMBL5712776 | 0.62 | ALOX5 (0.31) | — | |
| SCHEMBL29280393 | 0.59 | KDM4E (0.32) | — | |
| SCHEMBL20444266 | 0.57 | ALDH1A1 (0.34) | — | |
| SCHEMBL2592758 | 0.55 | TYR (0.63) | — | |
| SCHEMBL24378254 | 0.53 | — | — | |
| SCHEMBL15761111 | 0.50 | ATM (0.38) | — | |
| SCHEMBL5145016 | 0.46 | MAOA (0.48) | — | |
| SCHEMBL6038253 | 0.45 | ALDH1A1 (0.42) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180223268-A1 | Polypeptides Having Cellobiohydrolase Activity And Polynucleotides Encoding Same | NOVOZYMES A/S (DK) | 2018-08-09 | — | — | US | disclosed |