⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4586453 | 0.77 | — | — | |
| SCHEMBL11442628 | 0.75 | — | — | |
| SCHEMBL29086911 | 0.69 | — | — | |
| SCHEMBL11171914 | 0.68 | — | — | |
| SCHEMBL30729348 | 0.68 | NOS3 (0.36) | — | |
| SCHEMBL8999186 | 0.67 | CYP1A2 (0.32) | — | |
| SCHEMBL3833267 | 0.66 | SPHK1 (0.39) | — | |
| Propionic Acid SCHEMBL28582870 | 0.66 | FFAR3 (0.40) | — | |
| SCHEMBL8862891 | 0.65 | CYP1A2 (0.31) | — | |
| SCHEMBL5604496 | 0.65 | CYP1A2 (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0382617-B1 | PROCESS FOR THE PREPARATION OF VINICAL ALKANE DITHIOLS | SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) | 1992-08-12 | — | — | EP | claimed |
| US-5087759-A | SYNTHESIS OF VICINAL ALKANEDITHIOLS | SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) | 1992-02-11 | — | — | US | claimed |
| JP-4277469-A | — | — | None | — | — | JP | disclosed |
| JP-4206471-A | — | — | None | — | — | JP | disclosed |
| JP-H04277469-A | NON-AQUEOUS ELECTROLYTE AND BATTERY CONTAINING IT | RICOH CO LTD | 1992-10-02 | — | — | JP | disclosed |
| JP-H04206471-A | NONAQUEOUS ELECTROLYTE AND BATTERY CONTAINING IT | RICOH CO LTD | 1992-07-28 | — | — | JP | disclosed |
| US-5087759-A | SYNTHESIS OF VICINAL ALKANEDITHIOLS | SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) | 1992-02-11 | — | — | US | disclosed |