SCHEMBL28021345

SCHEMBL28021345

CNC(C)CCC(O)(NC)C(CO)NC

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
SCHEMBL10273871 0.69 ALDH1A1 (0.43)
SCHEMBL27417892 0.68
SCHEMBL27521606 0.66
SCHEMBL9117963 0.65
SCHEMBL14092984 0.64 RIPK1 (0.37)
SCHEMBL17625061 0.64 TAAR1 (0.30)
SCHEMBL27441203 0.63
Methamoctol SCHEMBL13003427 0.63 KCNH3 (0.41)
SCHEMBL17289066 0.62
SCHEMBL906720 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103482642-B A kind of method of separating boron from boracic brine QINGHAI INSTITUTE OF SALT LAKES, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-19 CN claimed
CN-103482641-B A kind of method of separating boron from boracic brine QINGHAI INSTITUTE OF SALT LAKES, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-19 CN claimed
CN-103482640-B A kind of method of separating boron from boracic brine QINGHAI INSTITUTE OF SALT LAKES, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-19 CN claimed
CN-103482643-B A kind of method of separating boron from boracic brine QINGHAI INSTITUTE OF SALT LAKES, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-19 CN claimed
CN-103482642-B A kind of method of separating boron from boracic brine QINGHAI INSTITUTE OF SALT LAKES, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-19 CN disclosed
CN-103482640-B A kind of method of separating boron from boracic brine QINGHAI INSTITUTE OF SALT LAKES, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-19 CN disclosed
CN-103482641-B A kind of method of separating boron from boracic brine QINGHAI INSTITUTE OF SALT LAKES, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-19 CN disclosed
CN-103482643-B A kind of method of separating boron from boracic brine QINGHAI INSTITUTE OF SALT LAKES, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-19 CN disclosed