SCHEMBL19729339

SCHEMBL19729339

CC(C)N(C(C)C)C(Cc1c[nH]cn1)C(=O)O

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
SCHEMBL23222832 0.90
SCHEMBL19729255 0.88
SCHEMBL19737133 0.87
SCHEMBL17610495 0.84 ALDH1A1 (0.33)
SCHEMBL198655 0.84 ALDH1A1 (0.33)
SCHEMBL198654 0.84 ALDH1A1 (0.33)
SCHEMBL22384112 0.84
Hydrochloric Acid SCHEMBL28132975 0.83 ALDH1A1 (0.35)
Water SCHEMBL28484737 0.83 ALDH1A1 (0.33)
SCHEMBL15349951 0.82 PGR (0.31)

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-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2023-06-15 US disclosed
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2023-06-15 US disclosed
EP-3804725-A2 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY Rhode Island Hospital (US) 2021-04-14 EP disclosed
EP-3220914-B1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL (US) 2020-09-02 EP disclosed
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2017-12-21 US disclosed
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2017-12-21 US disclosed