SCHEMBL18095952

SCHEMBL18095952

O=[N+]([O-])CCC(O)CO

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
SCHEMBL18095951 1.00
SCHEMBL9808441 0.83 ALDH1A1 (0.52)
SCHEMBL6379592 0.78
SCHEMBL6379596 0.78
SCHEMBL1702907 0.78
SCHEMBL11444664 0.77 ALDH1A1 (0.57)
SCHEMBL27548544 0.76 ALDH1A1 (0.46)
SCHEMBL6470025 0.76
Nitric Acid SCHEMBL961471 0.75 THRB (0.65)
Nitric Acid SCHEMBL7919625 0.75 THRB (0.65)

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
US-11008358-B2 Synthesis of desosamines PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-05-18 US disclosed
US-20200347087-A1 SYNTHESIS OF DESOSAMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-11-05 US disclosed
US-10544182-B2 Synthesis of desosamines Presidents and Fellow of Harvard College (US) 2020-01-28 US disclosed
US-20180111956-A1 SYNTHESIS OF DESOSAMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-26 US disclosed
EP-3277701-A1 SYNTHESIS OF DESOSAMINES President and Fellows of Harvard College (US) 2018-02-07 EP disclosed
WO-2016154533-A1 SYNTHESIS OF DESOSAMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-09-29 WO disclosed