⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11666597 | 0.84 | — | — | |
| SCHEMBL1394522 | 0.80 | — | — | |
| SCHEMBL22908212 | 0.78 | — | — | |
| SCHEMBL22488571 | 0.78 | — | — | |
| Bromide SCHEMBL21807132 | 0.76 | — | — | |
| Bromide SCHEMBL1394442 | 0.76 | — | — | |
| Bromide SCHEMBL9693309 | 0.75 | PNMT (0.35) | — | |
| Hydrochloric Acid SCHEMBL22468370 | 0.75 | — | — | |
| Bromide SCHEMBL21807131 | 0.73 | — | — | |
| SCHEMBL15680885 | 0.65 | — | — |
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-11312668-B2 | Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose | ABBVIE INC. (US) | 2022-04-26 | — | — | US | disclosed |
| US-20210017100-A1 | ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE | AbbVie Deutschland GmbH & Co. KG (DE) | 2021-01-21 | — | — | US | disclosed |