⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11367848 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL13158918 | 0.70 | — | — | |
| SCHEMBL13159217 | 0.68 | HDAC2 (0.46) | — | |
| SCHEMBL13159218 | 0.68 | HDAC2 (0.46) | — | |
| SCHEMBL11374411 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL13159221 | 0.65 | — | — | |
| SCHEMBL11374009 | 0.65 | — | — | |
| SCHEMBL2592789 | 0.64 | — | — | |
| SCHEMBL1491154 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL112059 | 0.64 | MEN1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100234363-A1 | HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2010-09-16 | — | — | US | disclosed |
| US-20100234363-A1 | HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2010-09-16 | — | — | US | disclosed |
| EP-2208728-A1 | HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 -HYDROXYSTEROID DEHYDROGENASE | Institute Of Medicinal Molecular Design, Inc. (JP) | 2010-07-21 | — | — | EP | disclosed |