⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5418412 | 0.98 | TSHR (0.42) | — | |
| SCHEMBL3416730 | 0.81 | — | — | |
| SCHEMBL8018185 | 0.75 | — | — | |
| SCHEMBL27311941 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL9724790 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL31595891 | 0.73 | ADH1B (0.47) | — | |
| SCHEMBL20214582 | 0.73 | ADH1B (0.47) | — | |
| SCHEMBL6160088 | 0.73 | ADH1B (0.47) | — | |
| SCHEMBL10584257 | 0.73 | ADH1B (0.47) | — | |
| SCHEMBL11575566 | 0.73 | ADH1B (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2270009-B1 | Process for the preparation of sitagliptin | DIPHARMA FRANCIS SRL (IT) | 2012-07-25 | — | — | EP | claimed |
| US-6365647-B1 | PREPARING A POLYMER SEED BY AQUEOUS EMULSION POLYMERIZATION OF STYRENE AND A SALT OF 2-ACRYLAMIDO-2-METHYLPROPANESULFONIC ACID; POLYMERIZING A MONOMERIC MIXTURE OF STYRENE, BUTADIENE, AND OPTIONALLY A NONIONIC MONOMER IN THE PRESENCE OF SEED | OMNOVA SOLUTIONS INC. | 2002-04-02 | — | — | US | disclosed |
| US-4067910-A | HEATING ALLYL XANTHOGENATE | GIVAUDAN CORPORATION (US) | 1978-01-10 | — | — | US | disclosed |