⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4728794 | 0.82 | KDM4E (0.52) | — | |
| SCHEMBL15901285 | 0.82 | NPC1 (0.43) | — | |
| SCHEMBL30821345 | 0.82 | NPC1 (0.43) | — | |
| SCHEMBL4190714 | 0.80 | KDM4E (0.50) | — | |
| SCHEMBL9214974 | 0.77 | NPC1 (0.40) | — | |
| SCHEMBL29263724 | 0.77 | NPC1 (0.40) | — | |
| Bromide SCHEMBL7972901 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL1422332 | 0.76 | — | — | |
| SCHEMBL2537108 | 0.76 | — | — | |
| SCHEMBL3230992 | 0.76 | KDM4E (0.46) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010010435-A2 | FUSED OXAZOLE AND THIAZOLE DERIVATIVES AS TRPMS MODULATORS | GLENMARK PHARMACEUTICAL S.A. (CH) | 2010-01-28 | — | — | WO | disclosed |
| US-6649761-B2 | Viricides such as 4-(1-(5-(5-methoxy-3-pyridinyl)-carbonyl-methylaminocarbonyl)-1-methylethyl)-2(S)-((2,2,2-trifluoro-ethyl)aminocarbonyl)-1-(allyloxycarbonyl)piperazine and salts formed by decarboxylation using acids, then purifying | MERCK & CO., INC. | 2003-11-18 | — | — | US | disclosed |
| US-20030191121-A1 | Piperazine carboxamide intermediates of HIV protease inhibitors and processes for their preparation | MILLER ROSS A (US) | 2003-10-09 | — | — | US | disclosed |
| US-20030144512-A1 | Process for preparing piperazinepentaneamide HIV protease inhibitors | MERCK & CO., INC. | 2003-07-31 | — | — | US | disclosed |
| US-20030125336-A1 | Hydrohalide salts of an HIV protease inhibitor | FLEITZ FRED J (US) | 2003-07-03 | — | — | US | disclosed |