⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13101176 | 0.79 | — | — | |
| SCHEMBL3990275 | 0.79 | — | — | |
| SCHEMBL936834 | 0.79 | — | — | |
| SCHEMBL514473 | 0.77 | — | — | |
| SCHEMBL16103901 | 0.77 | — | — | |
| SCHEMBL23288380 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL13666967 | 0.77 | — | — | |
| SCHEMBL24866666 | 0.77 | — | — | |
| SCHEMBL7974645 | 0.76 | ALDH1A1 (0.50) | — | |
| SCHEMBL24234636 | 0.76 | TUBB4A (0.36) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7642280-B2 | To inhibit virulence and reduce antibiotic resistance of mycothiol-producing bacteria | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-01-05 | — | — | US | disclosed |
| US-20050124021-A1 | Acetyl glucosaminyl inositol deacetylase, a mycothiol biosynthetic enzyme, and methods of use | UNIVERSITY OF BRITISH COLUMBIA, THE (CA) | 2005-06-09 | — | — | US | disclosed |
| CN-1551761-A | Inhibitors of acyl glucosaminyl inositol amidase and methods of use | ���ݴ�ѧУ��ίԱ�� | 2004-12-01 | — | — | CN | disclosed |
| US-20040167331-A1 | Inhibitors of acyl glucosaminyl inositol amidase and methods of use | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-08-26 | — | — | US | disclosed |
| WO-2002081483-A2 | INHIBITORS OF ACYL GLUCOSAMINYL INOSITOL AMIDASE AND METHODS OF USE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2002-10-17 | — | — | WO | disclosed |
| WO-2001096529-A2 | ACETYL GLUCOSAMINYL INOSITOL DEACETYLASE, A MYCOTHIOL BIOSYNTHETIC ENZYME, AND METHODS OF USE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) | 2001-12-20 | — | — | WO | disclosed |