⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27339 | 1.00 | — | — | |
| SCHEMBL11581012 | 0.96 | — | — | |
| SCHEMBL2307960 | 0.96 | — | — | |
| SCHEMBL3724752 | 0.96 | — | — | |
| SCHEMBL3725235 | 0.96 | — | — | |
| SCHEMBL3724478 | 0.96 | — | — | |
| SCHEMBL3731415 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL2306134 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL3725985 | 0.96 | — | — | |
| SCHEMBL2306971 | 0.96 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101089607-A | Homotype semicystinol diagnostic kit and homotype senicystinol concentration investigating method | AIJIE BIOLOG SCIENCE & TECHNOL (CN) | 2007-12-19 | — | — | CN | claimed |
| CN-101089601-A | Homotype semicystinol diagnostic kit and homotype semicystinol concentration investigating method | AIJIE BIOLOG SCIENCE & TECHNOL (CN) | 2007-12-19 | — | — | CN | claimed |
| EP-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |
| US-20090197311-A1 | METHOD FOR THE PRODUCTION OF SIMVASTATIN | DSM IP ASSETS B.V. (NL) | 2009-08-06 | — | — | US | disclosed |
| WO-2009056539-A1 | FERMENTATIVE PRODUCTION OF SIMVASTATIN | DSM IP ASSETS B.V. (NL) | 2009-05-07 | — | — | WO | disclosed |
| EP-2029760-A1 | METHOD FOR THE PRODUCTION OF SIMVASTATIN | DSMIP Assets B.V. (NL) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007147801-A1 | METHOD FOR THE PRODUCTION OF SIMVASTATIN | DSM IP ASSETS B.V. (NL) | 2007-12-27 | — | — | WO | disclosed |
| US-6488909-B1 | RADIODIAGNOSIS AND RADIOTHERAPY; COUPLED TO SUBSTANCES THAT ACCUMULATE IN THE DISEASED TISSUE | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-12-03 | — | — | US | disclosed |
| EP-0758639-A1 | Process for preparing isovanillin | UBE INDUSTRIES, LTD. (JP) | 1997-02-19 | — | — | EP | disclosed |