⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8320095 | 0.72 | — | — | |
| Dimethyl Sulfoxide SCHEMBL9743175 | 0.69 | ALDH1A1 (0.57) | — | |
| Propionitrile SCHEMBL14798238 | 0.69 | — | — | |
| Iodide SCHEMBL8756251 | 0.69 | — | — | |
| SCHEMBL713944 | 0.69 | — | — | |
| SCHEMBL124304 | 0.69 | — | — | |
| SCHEMBL22272369 | 0.69 | — | — | |
| SCHEMBL18642709 | 0.69 | — | — | |
| SCHEMBL18016188 | 0.67 | — | — | |
| SCHEMBL17993619 | 0.67 | — | — |
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-20160235805-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | CELGENE CAR LLC (BM) | 2016-08-18 | — | — | US | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| WO-1992002521-A1 | 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1992-02-20 | — | — | WO | disclosed |