SCHEMBL6135566

SCHEMBL6135566

CC[C@@H](C(=O)O)N(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
SCHEMBL291712 1.00
Hydrochloric Acid SCHEMBL5152591 0.97 CHRM1 (0.35)
Hydrochloric Acid SCHEMBL246538 0.97 CHRM1 (0.35)
SCHEMBL9245079 0.87 SLC1A3 (0.32)
SCHEMBL18510157 0.83 CHRM1 (0.36)
SCHEMBL27955925 0.80 CHRM1 (0.38)
SCHEMBL18762848 0.80 USP2 (0.35)
SCHEMBL29956838 0.79
SCHEMBL1320264 0.79 CHRM1 (0.56)
SCHEMBL16586241 0.79 CHRM1 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539128-A2 USE OF SKIN-PROTECTING SUBSTANCES Phenion GmbH &amp; Co KG (DE) 2005-06-15 EP claimed
WO-2004026295-A9 USE OF SKIN-PROTECTING SUBSTANCES PHENION GMBH & CO KG (DE) 2004-09-16 WO claimed
WO-2004026295-A2 USE OF SKIN-PROTECTING SUBSTANCES PHENION GMBH & CO. KG (DE) 2004-04-01 WO claimed
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 US disclosed
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 US disclosed
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2021-04-01 US disclosed
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RAPAFUSYN PHARMACEUTICALS, INC. 2020-02-06 US disclosed
EP-1539128-A2 USE OF SKIN-PROTECTING SUBSTANCES Phenion GmbH &amp; Co KG (DE) 2005-06-15 EP disclosed
WO-2004026295-A9 USE OF SKIN-PROTECTING SUBSTANCES PHENION GMBH & CO KG (DE) 2004-09-16 WO disclosed
WO-2004026295-A2 USE OF SKIN-PROTECTING SUBSTANCES PHENION GMBH & CO. KG (DE) 2004-04-01 WO disclosed