SCHEMBL9328705

SCHEMBL9328705

OP(O)O.[Ca+2].[H+].[H+]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
SCHEMBL7115600 0.93
SCHEMBL4193591 0.91
SCHEMBL5711427 0.91
SCHEMBL4193173 0.91
SCHEMBL3840140 0.87
Ammonia Solution, Strong SCHEMBL17554286 0.83
Phosphine SCHEMBL6908642 0.83
SCHEMBL22342233 0.83
SCHEMBL21219634 0.83
Phosphine SCHEMBL6903451 0.83

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
CN-115093383-A Establishment method of targeted NEDDylation molecular screening platform and NEDDylation inhibitor 北京中医药大学 2022-09-23 CN claimed
CN-115093383-B Method for establishing targeting NEDDylination molecular screening platform and NEDDylination inhibitor 北京中医药大学 2023-06-16 CN disclosed
EP-3689591-B1 LAYERED TUBE UBE CORP (JP) 2023-01-25 EP disclosed
CN-115093383-A Establishment method of targeted NEDDylation molecular screening platform and NEDDylation inhibitor 北京中医药大学 2022-09-23 CN disclosed
US-10933615-B2 Multilayer tubes UBE INDUSTRIES, LTD. (JP) 2021-03-02 US disclosed
US-20200262188-A1 MULTILAYER TUBES UBE INDUSTRIES, LTD. (JP) 2020-08-20 US disclosed
EP-3689591-A1 LAYERED TUBE UBE Industries, Ltd. (JP) 2020-08-05 EP disclosed
EP-0321126-B1 Stabilizer system for extrudable polyester blends FORD MOTOR CO (GB) 1994-03-16 EP disclosed
EP-0321126-A1 Stabilizer system for extrudable polyester blends FORD MOTOR COMPANY LIMITED (GB) 1989-06-21 EP disclosed
US-4547482-A Catalyst composition suited for synthesis of methanol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-10-15 US disclosed