SCHEMBL19006592

SCHEMBL19006592

COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2N=C1OP(=O)(N1CCOCC1)N1CCOCC1

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
SCHEMBL20473277 1.00
SCHEMBL19006729 0.93 KDM6B (0.34)
SCHEMBL20473244 0.92 CYP1A2 (0.37)
SCHEMBL17166207 0.91 LMNA (0.34)
SCHEMBL20473341 0.91 LMNA (0.34)
SCHEMBL19006721 0.90 NPSR1 (0.38)
SCHEMBL20473278 0.90 NPSR1 (0.38)
SCHEMBL14329002 0.89 LMNA (0.33)
SCHEMBL19006663 0.88
SCHEMBL20473289 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180312511-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2018-11-01 US disclosed
EP-3363801-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2018-08-22 EP disclosed
WO-2017101808-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-22 WO disclosed