⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1242243 | 0.81 | ALDH1A1 (0.71) | — | |
| SCHEMBL29915528 | 0.81 | ALDH1A1 (0.71) | — | |
| SCHEMBL6631519 | 0.81 | — | — | |
| SCHEMBL2784997 | 0.81 | ALDH1A1 (0.71) | — | |
| Niacin SCHEMBL29396199 | 0.79 | ALDH1A1 (1.00) | — | |
| Niacin SCHEMBL30844065 | 0.79 | — | — | |
| Niacin SCHEMBL29349574 | 0.79 | — | — | |
| Niacin SCHEMBL1433 | 0.79 | — | — | |
| Niacin SCHEMBL3081560 | 0.79 | ALDH1A1 (1.00) | — | |
| SCHEMBL658420 | 0.79 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210155561-A1 | METHOD AND REAGENT FOR DEOXYFLUORINATION | SOUTH DAKOTA BOARD OF REGENTS (US) | 2021-05-27 | — | — | US | disclosed |
| US-20210155561-A1 | METHOD AND REAGENT FOR DEOXYFLUORINATION | SOUTH DAKOTA BOARD OF REGENTS (US) | 2021-05-27 | — | — | US | disclosed |
| CN-112351766-A | Method for inhibiting microbial infections using zinc-containing compositions | 璀昂芬制药公司 | 2021-02-09 | — | — | CN | disclosed |
| CN-102947291-B | Prodrugs of triazolone compounds | EISAI R&D MAN CO LTD | 2014-07-09 | — | — | CN | disclosed |
| CN-102947291-A | Prodrugs of triazolone compounds | EISAI R&D MAN CO LTD | 2013-02-27 | — | — | CN | disclosed |
| CN-101679427-B | Derivatives of 7-alkynyl-1, 8-naphthyridinones, preparation thereof and use thereof in therapeutics | SANOFI AVENTIS | 2013-02-20 | — | — | CN | disclosed |
| US-20100234605-A1 | METHODS AND COMPOSITIONS FOR PRODUCING DIFLUOROMETHYLENE-AND TRIFLUOROMETHYL-CONTAINING COMPOUNDS | IM&T RESEARCH, INC. (US) | 2010-09-16 | — | — | US | disclosed |
| US-20100234605-A1 | METHODS AND COMPOSITIONS FOR PRODUCING DIFLUOROMETHYLENE-AND TRIFLUOROMETHYL-CONTAINING COMPOUNDS | IM&T RESEARCH, INC. (US) | 2010-09-16 | — | — | US | disclosed |
| CN-101679427-A | Derivatives of 7-alkynyl-1, 8-naphthyridinones, preparation thereof and use thereof in therapeutics | SANOFI AVENTIS | 2010-03-24 | — | — | CN | disclosed |
| CN-1105706-C | Cyclic amidino formulations useful as nitric oxide synthase inhibitors | SEARLE & CO (US) | 2003-04-16 | — | — | CN | disclosed |