SCHEMBL645027

SCHEMBL645027

Nc1c[c]cc(N)c1

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
SCHEMBL5850433 0.81
SCHEMBL292310 0.78
SCHEMBL6491081 0.78
SCHEMBL28100721 0.78
SCHEMBL27917245 0.78
SCHEMBL27443592 0.74
Water SCHEMBL27324157 0.74 ALDH1A1 (0.50)
SCHEMBL686379 0.73 TSHR (0.46)
SCHEMBL28493618 0.73 POLB (0.39)
SCHEMBL27673317 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344695-A Hydroxyl-enriched cycloolefin copolymer long afterglow material and application thereof 重庆理工大学 2024-07-16 CN claimed
CN-108272748-A Treat the propolis small molecule nano-hydrogel preparation and preparation method thereof of canker sore 于智莘 2018-07-13 CN claimed
CN-104040043-B Process for preparing aramid copolymer yarn using pickle 纳幕尔杜邦公司 2017-10-20 CN claimed
CN-104040041-B Method for preparing the yarn derived from the aramid copolymers fiber with low residual sulfur 纳幕尔杜邦公司 2017-06-13 CN claimed
CN-104040054-B Aramid copolymer yarn with low residual sulfur 纳幕尔杜邦公司 2017-04-19 CN claimed
CN-104040042-B Process for removing sulfur from fibers using aqueous acid 纳幕尔杜邦公司 2017-03-08 CN claimed
CN-104040046-B The method preparing aramid copolymers yarn using halogen pickle 纳幕尔杜邦公司 2017-03-01 CN claimed
CN-103314142-B The preparation of copolymer fibre and drying 纳幕尔杜邦公司 2017-03-01 CN claimed
CN-104040048-B Method for removing sulfur from fibers using monovalent salt ion exchange 纳幕尔杜邦公司 2016-10-19 CN claimed
CN-104040044-B The method removing sulfur from fiber for using hydracid ion to exchange 纳幕尔杜邦公司 2016-10-12 CN claimed
US-20020010344-A1 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-01-24 US claimed
WO-2001087851-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001079155-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 1,4-QUINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-25 WO claimed
WO-2001077097-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO claimed
WO-2001077079-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO claimed
WO-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 WO claimed
EP-0355364-A2 3,5-Diaminophenyl alkyl amines and their use in hair-dyeing compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1990-02-28 EP claimed
EP-0136266-A2 7-Beta-acylamido-3-cephem-4-carboxylic-acid esters, process for their preparation, pharmaceutical compositions and their application CIBA-GEIGY AG (CH) 1985-04-03 EP claimed