⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27868115 | 0.75 | — | — | |
| SCHEMBL22426580 | 0.75 | — | — | |
| SCHEMBL8570593 | 0.73 | — | — | |
| SCHEMBL12777841 | 0.73 | SCN9A (0.38) | — | |
| SCHEMBL27949637 | 0.73 | — | — | |
| SCHEMBL23990566 | 0.70 | MAPT (0.33) | — | |
| SCHEMBL10373419 | 0.70 | — | — | |
| SCHEMBL22426579 | 0.70 | SMPD3 (0.33) | — | |
| SCHEMBL21233001 | 0.68 | HTR7 (0.42) | — | |
| SCHEMBL10388210 | 0.68 | LTA4H (0.44) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7297168-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2007-11-20 | — | — | US | claimed |
| US-20050198745-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE COMPANY, THE | 2005-09-15 | — | — | US | claimed |
| US-20230192613-A1 | Charged Ion Channel Blockers and Methods for Use | NOCION THERAPEUTICS INC (US) | 2023-06-22 | — | — | US | disclosed |
| US-20210130380-A1 | PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE | Nocion Therapeutics, Inc. | 2021-05-06 | — | — | US | disclosed |
| WO-2020185928-A1 | CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE | Nocion Therapeutics, Inc. (US) | 2020-09-17 | — | — | WO | disclosed |
| WO-2020185830-A1 | CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE | Nocion Therapeutics, Inc. (US) | 2020-09-17 | — | — | WO | disclosed |
| WO-2011050160-A1 | PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME | BIOGEN IDEC MA INC. (US) | 2011-04-28 | — | — | WO | disclosed |
| US-7297168-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2007-11-20 | — | — | US | disclosed |
| EP-1737417-A2 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | The Procter and Gamble Company (US) | 2007-01-03 | — | — | EP | disclosed |
| CN-1714074-A | Method for producing aromatic nitrile compound | IHARA CHEMICAL IND CO (JP) | 2005-12-28 | — | — | CN | disclosed |
| US-20050198745-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE COMPANY, THE | 2005-09-15 | — | — | US | disclosed |
| WO-2005074875-A2 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2005-08-18 | — | — | WO | disclosed |