SCHEMBL17301545

SCHEMBL17301545

CC(C)(C)NC(=O)OC1/C=C/C(OC(C)(C)C)CC(O)C(O)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
SCHEMBL17301549 0.92 EPHX2 (0.32)
SCHEMBL17301550 0.88 PIM1 (0.31)
SCHEMBL17304925 0.88 BCHE (0.31)
SCHEMBL17190379 0.86 CCNE1 (0.30)
SCHEMBL17190386 0.85
SCHEMBL17301536 0.85
SCHEMBL17190381 0.84 SMN1; SMN2 (0.30)
SCHEMBL23016169 0.84 CYP3A4 (0.34)
SCHEMBL20017263 0.83
SCHEMBL23436601 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11857636-B2 Bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2024-01-02 US disclosed
US-11857636-B2 Bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2024-01-02 US disclosed
US-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-09-30 US disclosed
US-20210162060-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-06-03 US disclosed
US-10967069-B2 Bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-04-06 US disclosed
US-10927139-B2 Chemically cleavable group TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-02-23 US disclosed
US-20210002320-A1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-01-07 US disclosed
US-20190336612-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2019-11-07 US disclosed
US-10004810-B2 Bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2018-06-26 US disclosed
US-9931408-B2 Bio-orthogonal drug activation KONINKLIJKE PHILIPS N.V. (NL) 2018-04-03 US disclosed
US-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2017-05-25 US disclosed
US-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2017-05-25 US disclosed
US-9421274-B2 Bio-orthogonal drug activation KONINKLIJKE PHILIPS N.V. (NL) 2016-08-23 US disclosed
US-20160106859-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2016-04-21 US disclosed
US-20150344514-A1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B.V. (NL) 2015-12-03 US disclosed