⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17350427 | 1.00 | — | — | |
| SCHEMBL3165713 | 0.81 | — | — | |
| SCHEMBL19259397 | 0.81 | — | — | |
| SCHEMBL6518040 | 0.75 | FYN (0.30) | — | |
| SCHEMBL910860 | 0.72 | — | — | |
| SCHEMBL282623 | 0.72 | — | — | |
| SCHEMBL9655618 | 0.67 | — | — | |
| SCHEMBL4388794 | 0.65 | — | — | |
| Butane SCHEMBL10623201 | 0.64 | — | — | |
| SCHEMBL1920259 | 0.64 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7572938-B2 | Precursors for ketones and aldehydes | GIVAUDAN SA (CH) | 2009-08-11 | — | — | US | claimed |
| US-20040171516-A1 | Precursors for ketones and aldehydes | GIVAUDAN SA (CH) | 2004-09-02 | — | — | US | claimed |
| EP-1390337-A1 | PRECURSORS FOR KETONES AND ALDEHYDES | Givaudan SA (CH) | 2004-02-25 | — | — | EP | claimed |
| WO-2002096850-A1 | PRECURSORS FOR KETONES AND ALDEHYDES | GIVAUDAN SA (CH) | 2002-12-05 | — | — | WO | claimed |
| EP-1262473-A1 | Precursors for fragrant ketones and fragrant aldehydes | Givaudan SA (CH) | 2002-12-04 | — | — | EP | claimed |
| US-4578401-A | Mental complexes having an antineoplastic action, and medicaments containing these complexes | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1986-03-25 | — | — | US | claimed |
| WO-1983000868-A1 | METAL COMPLEXES HAVING AN ANTINEOPLASTIC ACTION, AND MEDICAMENTS CONTAINING THESE COMPLEXES | KELLER, HEIMO, J. | 1983-03-17 | — | — | WO | claimed |
| CN-104039396-A | PERSONAL CARE COMPOSITIONS COMPRISING A pH TUNEABLE GELLANT AND METHODS OF USING | PROCTER & GAMBLE | 2014-09-10 | — | — | CN | disclosed |
| CN-103930167-A | Personal care compositions comprising a di-amido gellant and methods of using | PROCTER & GAMBLE | 2014-07-16 | — | — | CN | disclosed |
| CN-103619308-A | Personal care compositions comprising shaped abrasive particles | PROCTER & GAMBLE | 2014-03-05 | — | — | CN | disclosed |
| US-7572938-B2 | Precursors for ketones and aldehydes | GIVAUDAN SA (CH) | 2009-08-11 | — | — | US | disclosed |
| US-20040171516-A1 | Precursors for ketones and aldehydes | GIVAUDAN SA (CH) | 2004-09-02 | — | — | US | disclosed |
| EP-1390337-A1 | PRECURSORS FOR KETONES AND ALDEHYDES | Givaudan SA (CH) | 2004-02-25 | — | — | EP | disclosed |
| WO-2002096850-A1 | PRECURSORS FOR KETONES AND ALDEHYDES | GIVAUDAN SA (CH) | 2002-12-05 | — | — | WO | disclosed |
| EP-1262473-A1 | Precursors for fragrant ketones and fragrant aldehydes | Givaudan SA (CH) | 2002-12-04 | — | — | EP | disclosed |
| EP-0245209-A1 | Milbemycin derivatives, their preparation and their use as pesticides | CIBA-GEIGY AG (CH) | 1987-11-11 | — | — | EP | disclosed |
| WO-1983000868-A1 | METAL COMPLEXES HAVING AN ANTINEOPLASTIC ACTION, AND MEDICAMENTS CONTAINING THESE COMPLEXES | KELLER, HEIMO, J. | 1983-03-17 | — | — | WO | disclosed |