SCHEMBL21811079

SCHEMBL21811079

C=C(C)C(N)=O.CCC(N)Cl.[H+]

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
LAP3 P28838 1/20 0.34
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
TSHR P16473 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
Methacrylic Acid SCHEMBL6927040 0.82 TDP1 (0.36) TDP1LAP3TSHRSLC1A3SLC1A2
SCHEMBL11762860 0.81 TDP1 (0.60) TDP1LAP3LMNAALOX15BLM
Ethyl Chloride SCHEMBL15846117 0.78
Propane SCHEMBL22974974 0.77
Propane SCHEMBL28309137 0.77 TDP1 (0.80) TDP1LMNAALOX15BLMPMP22
SCHEMBL861814 0.77
SCHEMBL5941026 0.77 TDP1 (0.48) TDP1
Ethylamine SCHEMBL6856120 0.75
Alcohol SCHEMBL821322 0.75
Butane SCHEMBL644175 0.75 TDP1 (0.75) TDP1LMNAALOX15BLMPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233715-A1 SMALL HIGHLY UNIFORM NANOMEDICINE COMPOSITIONS FOR THERAPEUTIC, IMAGING AND THERANOSTIC APPLICATIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-07-27 US disclosed
EP-3849404-A1 SMALL HIGHLY UNIFORM NANOMEDICINE COMPOSITIONS FOR THERAPEUTIC, IMAGING AND THERANOSTIC APPLICATIONS The Regents Of The University Of Michigan (US) 2021-07-21 EP disclosed
US-20200101176-A1 Small Highly Uniform Nanomedicine Compositions for Therapeutic, Imaging and Theranostic Applications NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-02 US disclosed
WO-2020056333-A1 SMALL HIGHLY UNIFORM NANOMEDICINE COMPOSITIONS FOR THERAPEUTIC, IMAGING AND THERANOSTIC APPLICATIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-03-19 WO disclosed