SCHEMBL2204977

SCHEMBL2204977

C[CH]NCCCN

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
SCHEMBL225564 0.81
SCHEMBL3769635 0.78
SCHEMBL19773526 0.78
SCHEMBL841142 0.75 CA12 (0.47)
SCHEMBL9302179 0.75 CA12 (0.47)
SCHEMBL134391 0.73
SCHEMBL5614099 0.72
SCHEMBL24680969 0.71
SCHEMBL3024582 0.71
SCHEMBL16864481 0.71

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-11597699-B2 MEK inhibitors and methods of their use EXELIXIS, INC. (US) 2023-03-07 US disclosed
US-20200283383-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2020-09-10 US disclosed
US-7981322-B2 Use of a metal organosilicate polymer for the protection of compounds sensitive to oxidation and/or to electromagnetic radiation COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2011-07-19 US disclosed
US-20090159859-A1 USE OF A METAL ORGANOSILICATE POLYMER FOR THE PROTECTION OF COMPOUNDS SENSITIVE TO OXIDATION AND/OR TO ELECTROMAGNETIC RADIATION COMMISSARIAT A L'ENERGIE ATOMIQUE 2009-06-25 US disclosed