SCHEMBL8053604

SCHEMBL8053604

CCOC(=O)CCC(=O)N(C)Cc1nc2c(F)c(F)cc(F)c2s1

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
SCHEMBL8053568 0.88 AKR1B1 (0.39)
SCHEMBL8055751 0.86 AKR1A1 (0.48)
SCHEMBL8053609 0.86 AKR1B1 (0.38)
SCHEMBL8052535 0.86 AKR1A1 (0.40)
SCHEMBL8058791 0.85 AKR1B1 (0.37)
SCHEMBL8055749 0.85 AKR1B1 (0.37)
SCHEMBL8656472 0.84 AKR1A1 (0.44)
SCHEMBL8858939 0.84 AKR1A1 (0.42)
SCHEMBL8058803 0.84 AKR1B1 (0.37)
SCHEMBL8395597 0.84 SMN1; SMN2 (0.51)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719767-B1 SUCCINAMIC ACID COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 2000-05-03 EP claimed
US-5688818-A ENZYME INHIBITORS SENJU PHARMACEUTICAL CO., LTD. (JP) 1997-11-18 US claimed
EP-0719767-A1 SUCCINAMIC ACID COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1996-07-03 EP claimed
EP-0719767-B1 SUCCINAMIC ACID COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 2000-05-03 EP disclosed
US-5688818-A ENZYME INHIBITORS SENJU PHARMACEUTICAL CO., LTD. (JP) 1997-11-18 US disclosed
EP-0719767-A1 SUCCINAMIC ACID COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1996-07-03 EP disclosed