SCHEMBL1741971

SCHEMBL1741971

CCC(Cl)CCC[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
SCHEMBL2535847 0.92
SCHEMBL2533087 0.90
SCHEMBL1722024 0.82
SCHEMBL3793985 0.82 ALDH1A1 (0.36)
SCHEMBL22071625 0.79 ALDH1A1 (0.35)
SCHEMBL4247604 0.77
SCHEMBL687389 0.77
SCHEMBL6225492 0.75 ALDH1A1 (0.39)
Ammonia Solution, Strong SCHEMBL9170626 0.74
SCHEMBL6262427 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387565-B1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
CN-102317265-B 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS RIGEL PHARMACEUTICALS INC 2015-03-25 CN disclosed
US-8575165-B2 Methods for treating inflammatory disorders using 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8334297-B2 2,4-pyrimidinediamine compounds for treatment of inflammatory disorders RIGEL PHARMACEUTICALS INC. (US) 2012-12-18 US disclosed
CN-102317265-A 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS RIGEL PHARMACEUTICALS INC 2012-01-11 CN disclosed
EP-2387402-A2 METHODS FOR TREATING INFLAMMATORY DISORDERS USING 2,4-PYRIMIDINEDIAMINE COMPOUNDS Rigel Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
EP-2387565-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS Rigel Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-8038799-B2 Substrate processing apparatus and substrate processing method KURITA WATER INDUSTRIES LTD. (JP) 2011-10-18 US disclosed
US-8038847-B2 Structured forming fabric, papermaking machine and method VOITH PATENT GMBH (DE) 2011-10-18 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
CN-1812981-A Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMA CO LTD (JP) 2006-08-02 CN disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
EP-0619345-B1 Phthalocyanine compound and optical recording medium containing it MITSUI CHEMICALS INC (JP) 1999-08-25 EP disclosed
US-5750229-A Phthalocyanine compound and optical recording medium containing it MITSUI TOATSU CHEMICALS, INC. (JP) 1998-05-12 US disclosed
US-5646273-A FOR USE IN OPTICAL DISKS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-08 US disclosed
EP-0619345-A1 Phthalocyanine compound and optical recording medium containing it MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-10-12 EP disclosed
US-4552886-A Fungicidal pyridylmethyl-amines ELI LILLY AND COMPANY (US) 1985-11-12 US disclosed
US-4501746-A HERBICIDES; PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1985-02-26 US disclosed
EP-0097013-A2 Fungicidal heterocyclic amines ELI LILLY AND COMPANY (US) 1983-12-28 EP disclosed