⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL60521 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL28108155 | 0.93 | — | — | |
| SCHEMBL2331069 | 0.93 | — | — | |
| Acetic Acid SCHEMBL2383524 | 0.90 | FFAR3 (0.44) | — | |
| Acetic Acid SCHEMBL14656178 | 0.88 | FFAR3 (0.41) | — | |
| Acetic Acid SCHEMBL14656179 | 0.85 | CA1 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL1029099 | 0.79 | NOS1 (0.32) | — | |
| SCHEMBL7762365 | 0.72 | — | — | |
| SCHEMBL28476080 | 0.71 | — | — | |
| SCHEMBL28325839 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4005299-A | — | — | None | — | — | JP | disclosed |
| CN-101668759-A | [6,5] -bicyclic GPR119G protein-coupled receptor agonists | BRISTOL MYERS SQUIBB CO | 2010-03-10 | — | — | CN | disclosed |
| JP-H045299-A | TOCOPHERYL ALPHA-D-GLUCOSIDE AND DERIVATIVE THEREOF | DAINIPPON INK & CHEM INC | 1992-01-09 | — | — | JP | disclosed |
| US-4237273-A | ANTITUMOR AGENTS; LEUKEMIA | RICHTER GEDEON VEGYESZETI GYAR RT (HU) | 1980-12-02 | — | — | US | disclosed |
| US-4221618-A | AMMONIUM AND SODIUM NITRATES, FUEL SNESITIZER, CROSSLINKED GUAR GUM | COOK MELVIN A | 1980-09-09 | — | — | US | disclosed |