⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL974642 | 0.82 | TSHR (1.00) | — | |
| SCHEMBL56311 | 0.77 | ANPEP (0.65) | — | |
| SCHEMBL18822320 | 0.76 | ANPEP (0.56) | — | |
| SCHEMBL9767481 | 0.76 | TSHR (0.61) | — | |
| SCHEMBL9767473 | 0.76 | TSHR (0.61) | — | |
| Hydrochloric Acid SCHEMBL56763 | 0.74 | GMNN (0.63) | — | |
| SCHEMBL10343746 | 0.74 | ANPEP (0.61) | — | |
| SCHEMBL859533 | 0.71 | TSHR (0.54) | — | |
| SCHEMBL25464816 | 0.69 | — | — | |
| SCHEMBL5027780 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170073357-A1 | BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | BRISTOL-MYERS SQUIBB COMPANY | 2017-03-16 | — | — | US | disclosed |
| US-9216173-B2 | 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-12-22 | — | — | US | disclosed |
| US-20140243336-A1 | 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors | MERCK SHARP & DOHME LLC | 2014-08-28 | — | — | US | disclosed |