⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4666352 | 0.98 | KDM4E (0.31) | — | |
| SCHEMBL6995020 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL8406316 | 0.72 | KMT2A (0.33) | — | |
| SCHEMBL5648318 | 0.69 | CES2 (0.31) | — | |
| SCHEMBL4664416 | 0.68 | HTT (0.42) | — | |
| SCHEMBL4667982 | 0.68 | DDAH1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL4665141 | 0.67 | HTT (0.41) | — | |
| SCHEMBL5491344 | 0.67 | HMGCR (0.35) | — | |
| Hydrochloric Acid SCHEMBL4665066 | 0.67 | CES2 (0.30) | — | |
| SCHEMBL18291779 | 0.67 | PLA2G4A (0.34) | — |
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 |