⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7925554 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7925509 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL7925512 | 0.99 | — | — | |
| SCHEMBL7923211 | 0.95 | SLC6A1 (0.63) | — | |
| SCHEMBL7923206 | 0.95 | SLC6A1 (0.63) | — | |
| Hydrochloric Acid SCHEMBL7928869 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL7928865 | 0.94 | — | — | |
| SCHEMBL7928913 | 0.93 | SLC6A1 (0.61) | — | |
| SCHEMBL7928909 | 0.93 | SLC6A1 (0.61) | — | |
| Hydrochloric Acid SCHEMBL7926051 | 0.92 | — | — |
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-6174898-B1 | TREATING FILARIAE IN LYMPHATIC SYSTEM BY ADMINISTERING N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS IN WHICH A SUBSTITUTED ALKYL CHAIN FORMS PART OF N-SUBSTITUENT AND SALTS | NOVO NORDISK A/S (DK) | 2001-01-16 | — | — | US | claimed |