⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2124615 | 0.85 | HSD17B10 (0.32) | — | |
| SCHEMBL27762399 | 0.84 | ALDH1A1 (0.41) | — | |
| SCHEMBL28590685 | 0.82 | HSD17B10 (0.31) | — | |
| SCHEMBL28589930 | 0.82 | HSD17B10 (0.31) | — | |
| SCHEMBL16341271 | 0.78 | — | — | |
| SCHEMBL1065458 | 0.77 | — | — | |
| SCHEMBL4810651 | 0.77 | — | — | |
| SCHEMBL27949774 | 0.76 | HSD17B10 (0.32) | — | |
| SCHEMBL27949843 | 0.76 | — | — | |
| SCHEMBL28077628 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6018011-A | OBTAINED BY REACTING A POLYORGANOSILOXANE, WITH A REACTION PRODUCT OF AN ORGANOSILANE OF GIVEN FORMULA AND N-1-((METHYLDIETHOXYSILOXY)DIETHOXYSILYL)ETHYL-2-PYRROLIDONE; USE IN ALKOXY-CROSSLINKING RTV SILICONE RUBBER MIXTURES | HUELS SILICONE GMBH (DE) | 2000-01-25 | — | — | US | disclosed |