⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1239684 | 0.98 | — | — | |
| Benzene SCHEMBL7938846 | 0.95 | NPC1 (0.33) | — | |
| SCHEMBL5462773 | 0.76 | — | — | |
| SCHEMBL3648506 | 0.76 | — | — | |
| Benzene SCHEMBL5373706 | 0.73 | NPC1 (0.42) | — | |
| SCHEMBL9055451 | 0.67 | NPC1 (0.41) | — | |
| SCHEMBL83826 | 0.64 | — | — | |
| SCHEMBL4743464 | 0.64 | — | — | |
| SCHEMBL3468250 | 0.59 | CA1 (0.32) | — | |
| SCHEMBL24447 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105152940-A | Comestible compositions comprising high potency savory flavorants, and processes for producing them | SENOMYX INC | 2015-12-16 | — | — | CN | disclosed |
| CN-101426381-A | Edible composition containing high-potency savory flavoring and method of making same | SENOMYX INC (US) | 2009-05-06 | — | — | CN | disclosed |