⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9878056 | 1.00 | — | — | |
| SCHEMBL9179557 | 0.88 | FAAH (0.32) | — | |
| SCHEMBL9179549 | 0.88 | FAAH (0.32) | — | |
| SCHEMBL9179539 | 0.88 | FAAH (0.32) | — | |
| SCHEMBL11450793 | 0.74 | ELANE (0.33) | — | |
| SCHEMBL9877061 | 0.73 | — | — | |
| SCHEMBL11088412 | 0.73 | FAAH (0.33) | — | |
| SCHEMBL10967454 | 0.73 | FAAH (0.33) | — | |
| SCHEMBL11449178 | 0.73 | HSD17B2 (0.38) | — | |
| SCHEMBL9878720 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4992542-A | Thienamycin antibiotics | MERCK & CO., INC. (US) | 1991-02-12 | — | — | US | disclosed |
| EP-0017992-A1 | 2-Substituted-6-substituted-1-carbadethiapen-2-em-3-carboxylic acids, processes for preparing them, antibiotic pharmaceutical compositions containing same and process for preparing intermediates | MERCK & CO. INC. (US) | 1980-10-29 | — | — | EP | disclosed |