⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4079827 | 0.88 | KEAP1 (0.32) | — | |
| SCHEMBL874920 | 0.79 | ALOX15 (0.31) | — | |
| SCHEMBL11758314 | 0.78 | — | — | |
| SCHEMBL27686340 | 0.78 | — | — | |
| SCHEMBL7609502 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL4974886 | 0.75 | MEN1 (0.39) | — | |
| SCHEMBL15330853 | 0.75 | INMT (0.34) | — | |
| SCHEMBL20060571 | 0.74 | — | — | |
| SCHEMBL8775918 | 0.74 | MGLL (0.43) | — | |
| SCHEMBL3933880 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101132760-A | Agent and method for colouring keratin fibres | PROCTER & GAMBLE (US) | 2008-02-27 | — | — | CN | claimed |
| US-20230357347-A1 | MODULATORS OF G-PROTEIN COUPLED RECEPTORS | CARMOT THERAPEUTICS, INC. | 2023-11-09 | — | — | US | disclosed |
| US-11535660-B1 | Modulators of G-protein coupled receptors | Cannot Therapeutics, Inc. (US) | 2022-12-27 | — | — | US | disclosed |
| CN-101132760-A | Agent and method for colouring keratin fibres | PROCTER & GAMBLE (US) | 2008-02-27 | — | — | CN | disclosed |