⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL483266 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL9227779 | 0.90 | — | — | |
| 1,3-Propanediol SCHEMBL21332492 | 0.73 | — | — | |
| SCHEMBL6063326 | 0.71 | — | — | |
| Vinyl Ether SCHEMBL8946927 | 0.67 | — | — | |
| SCHEMBL9806538 | 0.64 | — | — | |
| SCHEMBL8027225 | 0.64 | — | — | |
| Butadiene SCHEMBL5586549 | 0.63 | — | — | |
| Propene SCHEMBL11709400 | 0.60 | ALDH1A1 (0.33) | — | |
| Propene SCHEMBL126809 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111699023-A | Mitochondrial targeting, MPTP modulation, and reduction of mitochondrial reactive and/or mitochondrial reactive lipid materials | C·杜克 | 2020-09-22 | — | — | CN | disclosed |
| US-5965608-A | INTERMEDIATES INCLUDE GLUTARALDEHYDE AND DIALDEHYDES WHEREIN ALDEHYDE GROUPS ARE POSITIONED ON ADJACENT CARBONS OF THE CARBOCYCLIC OR HETEROCYCLIC RINGS; ACTIVE COMPOUNDS INCLUDE HEMIACETAL HEMIACETAL AND ACETAL HEMIACETAL EQUIVALENTS | ROCKHURST UNIVERSITY (US) | 1999-10-12 | — | — | US | disclosed |
| US-5804598-A | Xylomollin derivatives for use as insect feeding deterrents | ROCKHURST UNIVERSITY (US) | 1998-09-08 | — | — | US | disclosed |