⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5648912 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL4665094 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL4665091 | 0.99 | — | — | |
| SCHEMBL5645589 | 0.80 | HCAR2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL4666790 | 0.79 | HCAR2 (0.37) | — | |
| SCHEMBL5645760 | 0.79 | HRH3 (0.33) | — | |
| SCHEMBL5645763 | 0.79 | HRH3 (0.33) | — | |
| SCHEMBL5649835 | 0.78 | HSD17B10 (0.31) | — | |
| SCHEMBL5649832 | 0.78 | HSD17B10 (0.31) | — | |
| SCHEMBL4667960 | 0.78 | LMNA (0.40) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7144897-B2 | Hydroxy alkyl amines | Elan Oharmaceuticals, Inc. (US) | 2006-12-05 | — | — | US | claimed |
| US-20030166717-A1 | Hydroxy alkyl amines | FRESKOS JOHN (US) | 2003-09-04 | — | — | US | claimed |
| US-20070299263-A1 | Hydroxy Alkyl Amines | Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company | 2007-12-27 | — | — | US | disclosed |
| US-7144897-B2 | Hydroxy alkyl amines | Elan Oharmaceuticals, Inc. (US) | 2006-12-05 | — | — | US | disclosed |
| US-20030166717-A1 | Hydroxy alkyl amines | FRESKOS JOHN (US) | 2003-09-04 | — | — | US | disclosed |