⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL134006 | 1.00 | — | — | |
| Fluoride SCHEMBL1336999 | 0.97 | ALDH1A1 (0.48) | — | |
| SCHEMBL28826906 | 0.97 | — | — | |
| Acetonitrile SCHEMBL28221497 | 0.92 | ALDH1A1 (0.50) | — | |
| Methylene Chloride SCHEMBL28222139 | 0.90 | ALDH1A1 (0.43) | — | |
| Ethylamine SCHEMBL28494336 | 0.86 | ALDH1A1 (0.46) | — | |
| Acetic Acid SCHEMBL28551116 | 0.86 | ALDH1A1 (0.45) | — | |
| SCHEMBL27741334 | 0.86 | CA2 (0.42) | — | |
| Thiophene SCHEMBL27848957 | 0.86 | MAPT (0.41) | — | |
| SCHEMBL4408306 | 0.84 | ALDH1A1 (0.64) | — |
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-7144989-B2 | Pegylated non-hypertensive hemoglobins, methods of preparing same, and uses thereof | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) | 2006-12-05 | — | — | US | disclosed |
| US-20050159339-A1 | Pegylated non-hypertensive hemoglobins, methods of preparing same, and uses thereof | ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. | 2005-07-21 | — | — | US | disclosed |