SCHEMBL17258254

SCHEMBL17258254

COC1=C(C(C)C)C(c2ccccc2)C(C(C)C)(P(C(C)(C)C)C(C)(C)C)C(OC)=C1C(C)C

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
SCHEMBL938084 0.60
SCHEMBL6509318 0.56
SCHEMBL7598017 0.51
SCHEMBL3660630 0.47 TAAR1 (0.48)
SCHEMBL9628046 0.47 MAPT (0.68)
Isopropylbenzene SCHEMBL3497916 0.47 RIPK1 (0.42)
SCHEMBL25333763 0.46 HDAC4 (0.32)
SCHEMBL17086696 0.46 SLC6A4 (0.42)
SCHEMBL15087920 0.46 SLC6A4 (0.42)
SCHEMBL1911313 0.46 SLC6A4 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344042-B2 Production method for 2-fluoro-4-borono-L-phenylalanine, and precursor of 2-fluoro-4-borono-L-phenylalanine STELLA PHARMA CORPORATION (JP) 2019-07-09 US claimed
US-20170283441-A1 PRODUCTION METHOD FOR 2-FLUORO-4-BORONO-L-PHENYLALANINE, AND PRECURSOR OF 2-FLUORO-4-BORONO-L-PHENYLALANINE STELLA PHARMA CORPORATION (JP) 2017-10-05 US claimed
US-10344042-B2 Production method for 2-fluoro-4-borono-L-phenylalanine, and precursor of 2-fluoro-4-borono-L-phenylalanine STELLA PHARMA CORPORATION (JP) 2019-07-09 US disclosed
US-10005794-B2 Production method for 2-fluoro-4-borono-L-phenylalanine, and precursor of 2-fluoro-4-borono-L-phenylalanine STELLA PHARMA CORPORATION (JP) 2018-06-26 US disclosed
US-9815855-B2 Method for producing 4-borono-L-phenylalanine having 18F atom introduced thereinto, and precursor of 4-borono-L-phenylalanine having 18F atom introduced thereinto STELLA PHARMA CORPORATION (JP) 2017-11-14 US disclosed
US-20170283441-A1 PRODUCTION METHOD FOR 2-FLUORO-4-BORONO-L-PHENYLALANINE, AND PRECURSOR OF 2-FLUORO-4-BORONO-L-PHENYLALANINE STELLA PHARMA CORPORATION (JP) 2017-10-05 US disclosed
US-20160311836-A1 PRODUCTION METHOD FOR 2-FLUORO-4-BORONO-L-PHENYLALANINE, AND PRECURSOR OF 2-FLUORO-4-BORONO-L-PHENYLALANINE STELLA PHARMA CORPORATION (JP) 2016-10-27 US disclosed
US-9409926-B2 Chiral 4-boronophenylalanine (BPA) derivative and method for producing same, and method for producing 18F-labeled BPA using said derivative STELLA PHARMA CORPORATION; OSAKA PREFECTURE UNIVERSITY PUBLIC CORPORATION (JP) 2016-08-09 US disclosed
US-20150329564-A1 CHIRAL 4-BORONOPHENYLALANINE (BPA) DERIVATIVE AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING 18F-LABELED BPA USING SAID DERIVATIVE OSAKA PREFECTURE UNIVERSITY PUBLIC CORPORATION (JP) 2015-11-19 US disclosed