⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15303946 | 1.00 | — | — | |
| SCHEMBL4748144 | 0.79 | TP53 (0.32) | — | |
| SCHEMBL4748237 | 0.79 | TP53 (0.32) | — | |
| SCHEMBL1445674 | 0.79 | TP53 (0.32) | — | |
| SCHEMBL28605357 | 0.78 | — | — | |
| SCHEMBL12143513 | 0.78 | SLC6A2 (0.31) | — | |
| SCHEMBL2343223 | 0.78 | — | — | |
| SCHEMBL2343220 | 0.78 | — | — | |
| SCHEMBL15318903 | 0.78 | SLC6A2 (0.31) | — | |
| SCHEMBL13138400 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110245477-A1 | EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS | TRUSTEES OF BOSTON COLLEGE (US) | 2011-10-06 | — | — | US | disclosed |
| US-5830875-A | PARASITICIDES | MERCK & CO., INC. (US) | 1998-11-03 | — | — | US | disclosed |
| US-5208222-A | Anthelemetic | MERCK & CO., INC. (US) | 1993-05-04 | — | — | US | disclosed |
| EP-0506331-A1 | 4\"-and 4'-alkylthio-avermectin derivatives | MERCK & CO. INC. (US) | 1992-09-30 | — | — | EP | disclosed |