⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3889090 | 0.77 | — | — | |
| SCHEMBL28815353 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL31196609 | 0.68 | — | — | |
| SCHEMBL20576879 | 0.67 | — | — | |
| SCHEMBL3212979 | 0.66 | — | — | |
| Phosphine SCHEMBL10641770 | 0.66 | — | — | |
| SCHEMBL27801237 | 0.65 | — | — | |
| SCHEMBL31030882 | 0.64 | — | — | |
| SCHEMBL22041718 | 0.64 | — | — | |
| SCHEMBL9337670 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103098178-A | Composition for water-repellent treatment of surface, and method for water-repellent treatment of surface of semiconductor substrate using same | WAKO PURE CHEM IND LTD | 2013-05-08 | — | — | CN | disclosed |