⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20758116 | 1.00 | — | — | |
| SCHEMBL20833191 | 1.00 | — | — | |
| SCHEMBL7610543 | 0.83 | TSHR (0.39) | — | |
| SCHEMBL653873 | 0.83 | ALDH1A1 (0.40) | — | |
| SCHEMBL18085360 | 0.82 | LMNA (0.46) | — | |
| SCHEMBL16655069 | 0.82 | LMNA (0.46) | — | |
| SCHEMBL5134771 | 0.81 | — | — | |
| SCHEMBL3303397 | 0.80 | LMNA (0.43) | — | |
| SCHEMBL17099795 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL18086894 | 0.79 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114929705-A | MLL1 inhibitor and anticancer agent | 诺华公司 | 2022-08-19 | — | — | CN | claimed |
| EP-4215988-A1 | COMPOSITION FOR FORMING PROTECTIVE FILM AGAINST ALKALINE AQUEOUS HYDROGEN PEROXIDE, SUBSTRATE FOR PRODUCING SEMICONDUCTOR APPARATUS, METHOD FOR FORMING PROTECTIVE FILM, AND METHOD FOR FORMING PATTERN | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2023-07-26 | — | — | EP | disclosed |
| US-20180201602-A1 | VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF | UNIVERSITE AMIENS PICARDIE JULES VERNE (FR) | 2018-07-19 | — | — | US | disclosed |
| EP-2094673-B1 | COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS | INFINITY DISCOVERY INC (US) | 2015-04-08 | — | — | EP | disclosed |
| EP-2094673-A1 | COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS | Infinity Discovery, Inc. (US) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008060569-A1 | COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS | INFINITY DISCOVERY, INC. (US) | 2008-05-22 | — | — | WO | disclosed |