⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3419520 | 0.76 | — | — | |
| SCHEMBL3503892 | 0.76 | — | — | |
| SCHEMBL446970 | 0.71 | — | — | |
| SCHEMBL62699 | 0.69 | — | — | |
| SCHEMBL622607 | 0.69 | — | — | |
| 2,3-Dibromopropanol SCHEMBL10717953 | 0.67 | — | — | |
| SCHEMBL3408414 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8762703 | 0.67 | — | — | |
| 2,3-Dibromopropanol SCHEMBL5312852 | 0.67 | — | — | |
| 2,3-Dibromopropanol SCHEMBL288971 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6126938-A | ADMINISTERING TWO IDENTICAL OR DIFFERENT PRODUCTS EACH CONTAINING INDUCING AGENT FOR THE IMMUNE RESPONSE, SELECTED FROM THE ANTIGEN AND, IF THE ANTIGEN IS PROTEIN IN NATURE, AN EXPRESSION CASSETTE CAPABLE OF EXPRESSING THE ANTIGEN | PASTEUR MERIEUX SERUMS & VACCINS (FR) | 2000-10-03 | — | — | US | disclosed |