⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL9592390 | 0.97 | — | — | |
| SCHEMBL690784 | 0.93 | — | — | |
| SCHEMBL27722358 | 0.90 | ALDH1A1 (0.41) | — | |
| Acetic Acid SCHEMBL27521436 | 0.87 | FFAR3 (0.47) | — | |
| Oxalic Acid SCHEMBL1401228 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL26245868 | 0.83 | KDM4E (0.32) | — | |
| SCHEMBL597185 | 0.81 | — | — | |
| Oxalic Acid SCHEMBL15331131 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL4115410 | 0.79 | — | — | |
| SCHEMBL2891878 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230292741-A1 | NOVEL SUPERCOOLING METHODS FOR PRESERVATION OF BIOLOGICAL SAMPLES | X-THERMA, INC. (US) | 2023-09-21 | — | — | US | disclosed |
| US-20180214387-A1 | AQUEOUS SOLUTION COMPRISING A POLYPHENOL | OPTERION HEALTH AG (CH) | 2018-08-02 | — | — | US | disclosed |
| CN-101085059-A | Traditional Chinese medicine preparation for treating nenoxenia and its preparing method | JIANGXI WANJI MEDICINE RES INS (CN) | 2007-12-12 | — | — | CN | disclosed |