⚠ 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 | |
|---|---|---|---|---|
| Cyclopentane SCHEMBL11650938 | 0.89 | — | — | |
| Cyclohexane SCHEMBL6514805 | 0.89 | ALDH1A1 (0.36) | — | |
| SCHEMBL22719 | 0.82 | — | — | |
| Cyclopentane SCHEMBL20394153 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7523857 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL3382668 | 0.76 | — | — | |
| SCHEMBL9449720 | 0.76 | ALDH1A1 (0.42) | — | |
| Ethane SCHEMBL7149441 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL6209209 | 0.76 | — | — | |
| SCHEMBL17459063 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2072465-B1 | Use of a metallic organosilicate polymer for the protection of compounds that are sensitive to oxidation and/or electromagnetic radiation | COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2015-05-13 | — | — | EP | disclosed |
| EP-2072465-A2 | Use of a metallic organosilicate polymer for the protection of compounds that are sensitive to oxidation and/or electromagnetic radiation | Commissariat à l'Energie Atomique (FR) | 2009-06-24 | — | — | EP | disclosed |