⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1136655 | 0.77 | — | — | |
| SCHEMBL4094697 | 0.74 | CHRNB4 (0.45) | — | |
| SCHEMBL6458666 | 0.71 | ITGB2 (0.41) | — | |
| SCHEMBL5010227 | 0.71 | — | — | |
| SCHEMBL438270 | 0.71 | POLB (0.33) | — | |
| SCHEMBL442812 | 0.71 | — | — | |
| SCHEMBL1038844 | 0.71 | — | — | |
| SCHEMBL11227302 | 0.71 | MAOA (0.33) | — | |
| SCHEMBL11307666 | 0.68 | ABCG2 (0.36) | — | |
| SCHEMBL4413227 | 0.67 | POLB (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2493571-A1 | ALKYNYL DERIVATIVES USEFUL AS DPP-1 INHIBITORS | Janssen Pharmaceutica, N.V. (BE) | 2012-09-05 | — | — | EP | claimed |
| WO-2011059731-A1 | ALKYNYL DERIVATIVES USEFUL AS DPP-1 INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-05-19 | — | — | WO | claimed |
| WO-2011076687-A1 | PYRIDINONE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-06-30 | — | — | WO | disclosed |
| US-6492412-B2 | ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND OF SULFONAMIDE OR ALKANOY OR AMIDE DERIVATIVE CONTAINING HETERO OR AROMATIC RINGS TO TREAT OSTEOPOROSIS, OSTEOTOMY, CHILDHOOD IDIOPATHIC BOEN LOSS ETC. | PFIZER, INC. | 2002-12-10 | — | — | US | disclosed |