⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28692129 | 0.81 | — | — | |
| Oxalic Acid SCHEMBL28701190 | 0.80 | — | — | |
| Oxalic Acid SCHEMBL28691287 | 0.77 | — | — | |
| Phosphoric Acid SCHEMBL27867496 | 0.73 | CA2 (0.36) | — | |
| Phosphoric Acid SCHEMBL9687123 | 0.73 | — | — | |
| Cyclohexane SCHEMBL48514 | 0.73 | ALDH1A1 (0.30) | — | |
| Cyclopropane SCHEMBL10596924 | 0.73 | — | — | |
| Cycloheptane SCHEMBL4048765 | 0.73 | ALDH1A1 (0.30) | — | |
| Cyclopropane SCHEMBL247293 | 0.73 | — | — | |
| SCHEMBL22801140 | 0.73 | — | — |
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-20150270577-A1 | LITHIUM SECONDARY BATTERY | PANASONIC INTELLECTUAL PROPERTY MANAGEMENT CO., LTD. (JP) | 2015-09-24 | — | — | US | claimed |