SCHEMBL1043341

SCHEMBL1043341

Nn1ccc(=O)[nH]1

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
SCHEMBL20499392 0.67
SCHEMBL18687593 0.63
SCHEMBL710129 0.63
SCHEMBL20541953 0.62 SMN1; SMN2 (0.39)
SCHEMBL21331900 0.62
SCHEMBL6065583 0.60
SCHEMBL5963506 0.58
SCHEMBL17233963 0.55
SCHEMBL21385228 0.53
SCHEMBL8377720 0.53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1764082-B1 4-5-diamino-N,N-dihydro-pyrazol-3-one derivatives for use in composition for dyeing keratin fibres OREAL (FR) 2011-06-29 EP claimed
EP-1550656-B1 fused 4-5-diamino-n,n-dihydro-pyrazol-3-one derivatives for use in composition for dyeing keratin fibres OREAL (FR) 2009-05-06 EP claimed
US-7285137-B2 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL, S.A. (FR) 2007-10-23 US claimed
US-20050166335-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. (FR) 2005-08-04 US claimed
EP-0037344-B1 AMINO-ALCOXY PYRAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM ETABLISSEMENTS NATIVELLE S.A. (FR) 1984-07-11 EP claimed
CN-115448922-A Free base crystal form containing pyrazole polycyclic derivative and preparation method and application thereof 上海翰森生物医药科技有限公司 2022-12-09 CN disclosed
EP-2274340-B1 PIGMENT DISPERSER AND EASILY DISPERSED SOLID PIGMENT PREPARATIONS CLARIANT FINANCE BVI LTD (VG) 2012-05-16 EP disclosed
EP-2274340-A1 PIGMENT DISPERSER AND EASILY DISPERSED SOLID PIGMENT PREPARATIONS Clariant Finance (BVI) Limited (VG) 2011-01-19 EP disclosed
US-7642360-B2 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. (FR) 2010-01-05 US disclosed
US-7642360-B2 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. (FR) 2010-01-05 US disclosed
WO-2009132738-A1 PIGMENT DISPERSER AND EASILY DISPERSED SOLID PIGMENT PREPARATIONS CLARIANT INTERNATIONAL LTD (CH) 2009-11-05 WO disclosed
US-20080071092-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. 2008-03-20 US disclosed
US-7285137-B2 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL, S.A. (FR) 2007-10-23 US disclosed
US-7285137-B2 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL, S.A. (FR) 2007-10-23 US disclosed
US-20050166335-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. (FR) 2005-08-04 US disclosed
US-20050166335-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. (FR) 2005-08-04 US disclosed
EP-1259510-A2 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-11-27 EP disclosed
WO-2001066544-A2 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-09-13 WO disclosed
EP-0185248-B1 POLYADDITION OR POLYCONDENSATION PRODUCTS, THEIR AQUEOUS DISPERSIONS AS WELL AS A PHOTOGRAPHIC RECORDING MATERIAL CONTAINING A PHOTOGRAPHIC COMPOUND IN THE FORM OF SUCH POLYMERIC PRODUCTS Agfa-Gevaert AG (DE) 1990-10-03 EP disclosed
EP-0185248-A2 Polyaddition or polycondensation products, their aqueous dispersions as well as a photographic recording material containing a photographic compound in the form of such polymeric products Agfa-Gevaert AG (DE) 1986-06-25 EP disclosed