SCHEMBL10816645

SCHEMBL10816645

N#CC1CCCC2CCCCC12

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL10816644 1.00 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2262232 1.00 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2265424 0.95 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14346744 0.90 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10749332 0.87
SCHEMBL10749302 0.87
SCHEMBL22862069 0.84 DPP4 (0.30)
SCHEMBL4378286 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9834571 0.76
SCHEMBL8074579 0.75 ALDH1A1 (0.33) ALDH1A1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440397-B 3- (naphthalene-1-methyl substituted) pyridine derivative and synthesis method and application thereof 南方医科大学 2020-06-05 CN claimed
EP-0127816-B1 TRANS-DECALINCARBONITRILES MERCK PATENT GmbH (DE) 1987-08-19 EP claimed
US-4600528-A Decalin-carbonitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-07-15 US claimed
CN-113979871-A Preparation method of N-methyl-1-naphthylmethylamine and intermediate N-methyl-1-naphthylmethylamine 江苏同禾药业有限公司 2022-01-28 CN disclosed
CN-111606823-A Method for converting aromatic aldehyde into aromatic nitrile by using inorganic ammonium as nitrogen source and promoted by sulfur powder 湘潭大学 2020-09-01 CN disclosed
CN-108440397-B 3- (naphthalene-1-methyl substituted) pyridine derivative and synthesis method and application thereof 南方医科大学 2020-06-05 CN disclosed
CN-100503600-C Heterocyclic pesticides BAYER CROPSCIENCE AG (DE) 2009-06-24 CN disclosed
CN-101070317-A Heterocyclic derivatives, composition containing same and method for pests control FMC CORP (US) 2007-11-14 CN disclosed
CN-1692108-A Heterocyclic pesticides FMC CORP (US) 2005-11-02 CN disclosed
CN-1481376-A HYDROXYBENZAMIDE DERIVATIVES AS FACTOR XA INHIBITORS ���ĵ�˹ҩ��¹����޹�˾ 2004-03-10 CN disclosed
CN-1186061-A Method of producing carboxylic acids DAICEL CHEM (JP) 1998-07-01 CN disclosed
EP-0127816-B1 TRANS-DECALINCARBONITRILES MERCK PATENT GmbH (DE) 1987-08-19 EP disclosed
US-4600528-A Decalin-carbonitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-07-15 US disclosed
US-4600528-A Decalin-carbonitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-07-15 US disclosed
US-4600528-A Decalin-carbonitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-07-15 US disclosed
EP-0127816-A2 Trans-Decalincarbonitriles MERCK PATENT GmbH (DE) 1984-12-12 EP disclosed
US-4374979-A Regiospecific synthesis of anthracyclinone compounds such as daunomycinone THE UNIVERSITY OF KANSAS ENDOWMENT ASSOCIATION (US) 1983-02-22 US disclosed