⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4572067 | 1.00 | — | — | |
| SCHEMBL275810 | 1.00 | — | — | |
| SCHEMBL4448763 | 1.00 | — | — | |
| SCHEMBL9880195 | 1.00 | — | — | |
| SCHEMBL5371229 | 1.00 | — | — | |
| SCHEMBL24827776 | 1.00 | — | — | |
| Hydroxyamine SCHEMBL8746594 | 0.95 | ALDH1A1 (0.42) | — | |
| 3-Methylbutanol SCHEMBL28206682 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL13273131 | 0.83 | ALDH1A1 (0.42) | — | |
| 1-Pentanol SCHEMBL28207004 | 0.82 | SMN1; SMN2 (0.48) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230138310-A1 | PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND | FRONTIER BIOTECHNOLOGIES INC. (CN) | 2023-05-04 | — | — | US | disclosed |
| US-9150899-B2 | Identification of compounds modifying a cellular response | 2CUREX (DK) | 2015-10-06 | — | — | US | disclosed |
| US-8470763-B2 | Alpha-amino-N-substituted amides, pharmaceutical composition containing them and uses thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) | 2013-06-25 | — | — | US | disclosed |
| US-20130123140-A1 | IDENTIFICATION OF COMPOUNDS MODIFYING A CELLULAR RESPONSE | 2CUREX (DK) | 2013-05-16 | — | — | US | disclosed |
| US-20120157434-A1 | Antimicrobial heterocyclic compounds for treatment of bacterial infections | CSO of MicuRx Pharmaceuticals, Inc. | 2012-06-21 | — | — | US | disclosed |
| US-20120070409-A1 | TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2012-03-22 | — | — | US | disclosed |
| US-20120070409-A1 | TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2012-03-22 | — | — | US | disclosed |
| US-20110021624-A1 | Alpha-Amino-N-Substituted Amides, Pharmaceutical Composition Containing Them and Uses Thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2011-01-27 | — | — | US | disclosed |
| EP-2184281-A1 | Phenyl-thiophene type vitamin D receptor modulators | Eli Lilly & Company (US) | 2010-05-12 | — | — | EP | disclosed |