⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20465840 | 0.88 | — | — | |
| SCHEMBL20437841 | 0.86 | TYR (0.47) | — | |
| SCHEMBL5712776 | 0.71 | ALOX5 (0.31) | — | |
| SCHEMBL20444266 | 0.65 | ALDH1A1 (0.34) | — | |
| SCHEMBL2592758 | 0.62 | TYR (0.63) | — | |
| SCHEMBL24378254 | 0.61 | — | — | |
| SCHEMBL15761111 | 0.57 | ATM (0.38) | — | |
| SCHEMBL8018135 | 0.55 | CDC25B (0.44) | — | |
| SCHEMBL5145016 | 0.53 | MAOA (0.48) | — | |
| SCHEMBL3968141 | 0.50 | STAT3 (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180202011-A1 | METHODS OF INHIBITING AA9 LYTIC POLYSACCHARIDE MONOOXYGENASE CATALYZED INACTIVATION OF ENZYME COMPOSITIONS | NOVOZYMES A/S (DK) | 2018-07-19 | — | — | US | disclosed |
| US-20160298154-A1 | Processes for Increasing Enzymatic Hydrolysis of Cellulosic Material | NOVOZYMES A/S (DK) | 2016-10-13 | — | — | US | disclosed |