⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9914182 | 1.00 | — | — | |
| SCHEMBL4825808 | 1.00 | — | — | |
| SCHEMBL777007 | 0.72 | — | — | |
| SCHEMBL17827076 | 0.72 | — | — | |
| SCHEMBL3240862 | 0.69 | — | — | |
| SCHEMBL27304560 | 0.63 | — | — | |
| SCHEMBL9809345 | 0.63 | — | — | |
| SCHEMBL31580314 | 0.62 | TDP1 (0.40) | — | |
| SCHEMBL27751394 | 0.61 | — | — | |
| SCHEMBL24739 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013028670-A1 | 2-SPIRO-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2013-02-28 | — | — | WO | disclosed |
| WO-2012116217-A1 | COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS | IRM LLC (BM) | 2012-08-30 | — | — | WO | disclosed |
| WO-2012034091-A1 | IMIDAZO [1, 2] PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS | IRM LLC (BM) | 2012-03-15 | — | — | WO | disclosed |
| US-20080009534-A1 | SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY | 2008-01-10 | — | — | US | disclosed |