⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28156509 | 0.97 | — | — | |
| SCHEMBL28300112 | 0.94 | — | — | |
| SCHEMBL11082976 | 0.76 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL28229523 | 0.74 | — | — | |
| SCHEMBL23930621 | 0.72 | — | — | |
| SCHEMBL9445713 | 0.70 | — | — | |
| SCHEMBL12727871 | 0.67 | — | — | |
| SCHEMBL11044327 | 0.65 | — | — | |
| SCHEMBL1217481 | 0.63 | — | — | |
| Acetone SCHEMBL13836828 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102876213-B | Drainage metal surface treatment agent and metal materials with surface capsule | 日本帕卡濑精株式会社 | 2017-04-12 | — | — | CN | disclosed |
| CN-102877052-B | Water-based metal-surface-treating agent and utilize this inorganic agent to process and the metal material that obtains | 日本帕卡濑精株式会社 | 2016-08-03 | — | — | CN | disclosed |
| CN-102876185-B | Water-based metal-surface-treating agent and the metal material utilizing this inorganic agent to process and obtaining | 日本帕卡濑精株式会社 | 2016-06-29 | — | — | CN | disclosed |
| CN-102877053-B | Water-based metal-surface-treating agent and utilize this inorganic agent to process and the metal material that obtains | NIHON PARKERIZING CO., LTD. (JP) | 2016-05-04 | — | — | CN | disclosed |