⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8691433 | 0.90 | — | — | |
| SCHEMBL444161 | 0.90 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL1441061 | 0.88 | CES2 (0.44) | — | |
| SCHEMBL63153 | 0.88 | CES2 (0.44) | — | |
| SCHEMBL72854 | 0.84 | PIK3CD (0.33) | — | |
| SCHEMBL9810358 | 0.80 | — | — | |
| SCHEMBL9212263 | 0.77 | GABRA5 (0.39) | — | |
| SCHEMBL11239979 | 0.76 | — | — | |
| SCHEMBL6939540 | 0.76 | ELANE (0.34) | — | |
| SCHEMBL3988299 | 0.75 | TRPA1 (0.33) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6987112-B2 | Organic compound having cyano group and insecticides/miticides | NIPPON SODA CO., LTD. (US) | 2006-01-17 | — | — | US | disclosed |
| US-20040072826-A1 | Organic compound having cyano group and insecticides/miticides | NIPPON SODA CO., LTD. (JP) | 2004-04-15 | — | — | US | disclosed |
| EP-1338589-A1 | ORGANIC COMPOUND HAVING CYANO GROUP AND INSECTICIDES/MITICIDES | NIPPON SODA CO., LTD. (JP) | 2003-08-27 | — | — | EP | disclosed |
| US-5827863-A | Pyrazole derivatives as angiotensin II antagonists | J. URIACH & CIA, S.A. (ES) | 1998-10-27 | — | — | US | disclosed |
| EP-0721454-A1 | NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST | J. URIACH & CIA. S.A. (ES) | 1996-07-17 | — | — | EP | disclosed |
| WO-1996004273-A1 | NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST | J. URIACH & CIA, S.A. (ES) | 1996-02-15 | — | — | WO | disclosed |
| EP-0147177-B1 | ETHER PRODRUGS OF ANTI-INFLAMMATORY OXICAMS | PFIZER INC. (US) | 1987-10-14 | — | — | EP | disclosed |
| US-4551452-A | Anti-inflammatory 2-methyl-2H-1,2-benzo-(or -thieno-)thiazine-3-carboxamide 1,1-dioxide derivatives, compositions, and method of use therefor | PFIZER INC. (US) | 1985-11-05 | — | — | US | disclosed |