SCHEMBL28950107

SCHEMBL28950107

CCCCN1C=CC=CC1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL28950102 0.72
SCHEMBL15108328 0.72 GBA1 (0.32)
Hydrochloric Acid SCHEMBL27983938 0.71 GBA1 (0.32)
Bromide SCHEMBL27722885 0.71 GBA1 (0.32)
Iodide SCHEMBL28337023 0.71 GBA1 (0.32)
SCHEMBL27918945 0.69
SCHEMBL28337234 0.69 GBA2 (0.31)
SCHEMBL27674234 0.69
SCHEMBL27550591 0.69
SCHEMBL28519154 0.69 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677966-A Preparation of thermoplastic thiopolyurethane polymers for additive manufacturing and methods of use thereof 清锋(北京)科技有限公司 2023-02-03 CN disclosed