⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29842049 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL3500678 | 0.75 | — | — | |
| SCHEMBL15775284 | 0.72 | — | — | |
| Propane SCHEMBL28811886 | 0.72 | FAAH (0.36) | — | |
| SCHEMBL11496508 | 0.69 | — | — | |
| SCHEMBL10520077 | 0.68 | — | — | |
| SCHEMBL10520073 | 0.68 | — | — | |
| SCHEMBL5904175 | 0.65 | CRBN (0.37) | — | |
| SCHEMBL3340184 | 0.65 | CRBN (0.39) | — | |
| SCHEMBL11883640 | 0.65 | ALOX5 (0.39) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230242495-A1 | Nitrosation Reagents and Methods | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2023-08-03 | — | — | US | disclosed |
| US-20230242495-A1 | Nitrosation Reagents and Methods | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2023-08-03 | — | — | US | disclosed |
| CN-115920085-A | Application of Nrf2 in preparation of treatment system for treating nervous system diseases caused by tRNA synthetase deficiency | 润康生物医药(苏州)有限公司 | 2023-04-07 | — | — | CN | disclosed |
| WO-2021257849-A1 | NITROSATION REAGENTS AND METHODS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-12-23 | — | — | WO | disclosed |
| US-20120231512-A1 | PREPARATION OF ALPHA-KETOPIMELIC ACID | DSM IP ASSETS B.V. (NL) | 2012-09-13 | — | — | US | disclosed |
| WO-2011031146-A2 | PREPARATION OF ALPHA-KETOPIMELIC ACID | DSM IP ASSETS B.V. (NL) | 2011-03-17 | — | — | WO | disclosed |
| US-20100205857-A1 | BUTANOL PRODUCTION IN A EUKARYOTIC CELL | DSN IP ASSETS B.V. (NL) | 2010-08-19 | — | — | US | disclosed |
| EP-2171075-A2 | BUTANOL PRODUCTION IN A EUKARYOTIC CELL | DSM IP Assets B.V. (NL) | 2010-04-07 | — | — | EP | disclosed |
| WO-2009013160-A2 | BUTANOL PRODUCTION IN A EUKARYOTIC CELL | DSM IP ASSETS B.V. (NL) | 2009-01-29 | — | — | WO | disclosed |
| US-4975538-A | MICROBIOCIDES AND BETA-LACTAMASE INHIBITORS | THE UPJOHN COMPANY (US) | 1990-12-04 | — | — | US | disclosed |
| EP-0352269-A1 | ANTIBIOTIC SULFONYLAMINOCARBONYL ACTIVATED $g(b)-LACTAMS | THE UPJOHN COMPANY (US) | 1990-01-31 | — | — | EP | disclosed |
| EP-0281289-A1 | Antibiotic sulfonylaminocarbonyl activated beta-lactams | THE UPJOHN COMPANY (US) | 1988-09-07 | — | — | EP | disclosed |
| WO-1988006588-A1 | ANTIBIOTIC SULFONYLAMINOCARBONYL ACTIVATED beta-LACTAMS | THE UPJOHN COMPANY (US) | 1988-09-07 | — | — | WO | disclosed |