SCHEMBL9510458

SCHEMBL9510458

[NH]CCC(=N)N

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
SCHEMBL5174178 0.79
SCHEMBL9217523 0.79
Hydrochloric Acid SCHEMBL10456770 0.75 SPHK2 (0.45)
SCHEMBL7851689 0.72 SPHK2 (0.67)
SCHEMBL5173054 0.72
SCHEMBL10424357 0.70
SCHEMBL23668354 0.69 SPHK2 (0.72)
Hydrochloric Acid SCHEMBL20983881 0.69 SPHK2 (0.55)
SCHEMBL17747405 0.69 SPHK2 (0.72)
SCHEMBL1343749 0.69

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
EP-0271829-B1 DELTA-HYDROXY-BETA-LYSINE DERIVATIVES AND THEIR PRODUCTION Takeda Chemical Industries, Ltd. (JP) 1993-08-25 EP claimed
EP-0229313-B1 COMPOUND RELATED TO ANTIBIOTIC TAN-749 AND THEIR PRODUCTION Takeda Chemical Industries, Ltd. (JP) 1990-11-07 EP claimed
US-4906659-A Antibiotic tan-749, its derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-03-06 US claimed
EP-0271829-A2 Delta-hydroxy-beta-lysine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1988-06-22 EP claimed
EP-0229313-A2 Compound related to antibiotic TAN-749 and their production Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP claimed
JP-62228047-A None JP disclosed
JP-63277652-A None JP disclosed
EP-0271829-B1 DELTA-HYDROXY-BETA-LYSINE DERIVATIVES AND THEIR PRODUCTION Takeda Chemical Industries, Ltd. (JP) 1993-08-25 EP disclosed
CN-1012499-B COMPOUNDS RELATED TO ANTIBIOTIC TAN-749 AND THEIR PRODUCTION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1991-05-01 CN disclosed
EP-0229313-B1 COMPOUND RELATED TO ANTIBIOTIC TAN-749 AND THEIR PRODUCTION Takeda Chemical Industries, Ltd. (JP) 1990-11-07 EP disclosed
US-4906659-A Antibiotic tan-749, its derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-03-06 US disclosed
JP-S63277652-A DELTA-HYDROXY-BETA-LYSINE DERIVATIVE AND PRODUCTION THEREOF TAKEDA CHEM IND LTD 1988-11-15 JP disclosed
EP-0271829-A2 Delta-hydroxy-beta-lysine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1988-06-22 EP disclosed
EP-0271829-A2 Delta-hydroxy-beta-lysine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1988-06-22 EP disclosed
JP-S62228047-A ANTIBIOTIC SUBSTANCE TAN-749-RELATING COMPOUND AND PRODUCTION THEREOF TAKEDA CHEM IND LTD 1987-10-06 JP disclosed
EP-0229313-A2 Compound related to antibiotic TAN-749 and their production Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP disclosed
EP-0229313-A2 Compound related to antibiotic TAN-749 and their production Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP disclosed