⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9658621 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL407981 | 0.76 | — | — | |
| SCHEMBL14681112 | 0.73 | — | — | |
| SCHEMBL11212320 | 0.70 | CYP3A4 (0.41) | — | |
| SCHEMBL4883410 | 0.68 | HSD17B10 (0.46) | — | |
| SCHEMBL3212002 | 0.68 | TSHR (0.43) | — | |
| SCHEMBL15999664 | 0.67 | — | — | |
| SCHEMBL191402 | 0.67 | — | — | |
| SCHEMBL758346 | 0.66 | ODC1 (0.41) | — | |
| SCHEMBL11885390 | 0.66 | ODC1 (0.41) | — |
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-20120064061-A1 | ADHESIVE COMPOSITION COMPRISING TANNIN, POLY(ETHYLENE GLYCOL), AND WATER, LOWER ALCOHOL OR MIXTURE THEREOF | INNOTHERAPY INC. (KR) | 2012-03-15 | — | — | US | disclosed |