SCHEMBL457688

SCHEMBL457688

N=C(N)NOC(=O)O

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
Guanidine SCHEMBL27722028 0.97 ACHE (0.33)
SCHEMBL28915424 0.97
SCHEMBL28303748 0.97
Water SCHEMBL28049689 0.94 ACHE (0.32)
Sulfamate SCHEMBL11692274 0.85 CA1 (0.36)
SCHEMBL508005 0.78 LMNA (0.32)
SCHEMBL5103 0.78 CRBN (0.32)
SCHEMBL1332813 0.78
SCHEMBL30965438 0.78
SCHEMBL6671577 0.76

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 652 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022091001-A1 PROCESS FOR PREPARATION OF PALBOCICLIB PFIZER IRELAND PHARMACEUTICALS (IE) 2022-05-05 WO claimed
EP-3558241-B1 HAIR COMPOSITION COMPRISING A GUANIDINE SALT, AN ALKANOLAMINE AND AMMONIUM HYDROXIDE AND CATIONIC AND/OR AMPHOTERIC POLYMERS OREAL (FR) 2021-07-07 EP claimed
EP-3558229-B1 HAIR COMPOSITION COMPRISING A GUANIDINE SALT, AN ALKANOLAMINE, AMMONIUM HYDROXIDE AND A POLYOL OREAL (FR) 2021-07-07 EP claimed
EP-3653198-A1 HAIR-DYE COMPOSITION KAO CORPORATION (JP) 2020-05-20 EP claimed
EP-3153154-B1 HAIR-DYE COMPOSITION KAO CORP (JP) 2020-02-19 EP claimed
US-10478389-B2 Hair-dye composition KAO CORPORATION (JP) 2019-11-19 US claimed
EP-3558229-A1 HAIR COMPOSITION COMPRISING A GUANIDINE SALT, AN ALKANOLAMINE, AMMONIUM HYDROXIDE AND A POLYOL L'Oreal (FR) 2019-10-30 EP claimed
EP-3558241-A1 HAIR COMPOSITION COMPRISING A GUANIDINE SALT, AN ALKANOLAMINE AND AMMONIUM HYDROXIDE AND CATIONIC AND/OR AMPHOTERIC POLYMERS L'Oreal (FR) 2019-10-30 EP claimed
WO-2018114874-A1 HAIR LIGHTENING COMPOSITION COMPRISING HYDROGEN PEROXIDE, A GUANIDINE SALT, AND AT LEAST 0.5% BY WEIGHT OF POLYPHOSPHORUS DERIVATIVE L'OREAL (FR) 2018-06-28 WO claimed
WO-2018115004-A1 HAIR COMPOSITION COMPRISING A GUANIDINE SALT, AN ALKANOLAMINE, AMMONIUM HYDROXIDE AND A POLYOL L'OREAL (FR) 2018-06-28 WO claimed
US-7226487-B2 Oxidative dyeing keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2007-06-05 US claimed
CN-1819989-A 2-(amino or substituted amino)-5-(substituted oxymethyl)-phenol compounds, dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2006-08-16 CN claimed
EP-1646606-A1 2-(AMINO OR SUBSTITUTED AMINO)-5-(SUBSTITUTED OXYMETHYL)-PHENOL COMPOUNDS, DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-04-19 EP claimed
WO-2005007615-A1 2-(AMINO OR SUBSTITUTED AMINO)-5-(SUBSTITUTED OXYMETHYL)-PHENOL COMPOUNDS, DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-01-27 WO claimed
US-20050005370-A1 2-(Amino or substituted amino)-5-(substituted oxymethyl)-phenol compounds, dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2005-01-13 US claimed
EP-0818949-B1 STABLE SOLID FORMULATIONS OF CYCLOHEXENONE OXIME ETHER HERBICIDES BASF AG (DE) 2000-12-06 EP claimed
EP-0084011-B1 QUINOLINE CARBOXYLIC ACID COMPLEXES WITH GUANIDINIUM CARBONATE AND GUANIDINE MERCK & CO. INC. (US) 1986-03-26 EP claimed
US-4530928-A Bactericides MERCK & CO., INC. (US) 1985-07-23 US claimed
EP-0084011-A1 Quinoline carboxylic acid complexes with guanidinium carbonate and guanidine MERCK & CO. INC. (US) 1983-07-20 EP claimed
EP-0040872-A1 Pyrazolo-quinazoline derivatives and methods of producing such derivatives SIEGFRIED AKTIENGESELLSCHAFT (CH) 1981-12-02 EP claimed