SCHEMBL9872231

SCHEMBL9872231

O=P(O)(O)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITPR3 Q14573 8/20 0.90
▸ ITPR2 Q14571 4/20 0.90
▸ ITPR1 Q14643 4/20 0.90
▸ INPP5A Q14642 3/20 0.90
▸ SMPD1 P17405 1/20 0.89
▸ INPPL1 O15357 1/20 0.80
▸ AKT1 P31749 1/20 0.80

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
SCHEMBL29165997 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL4754501 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL1149378 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL15762968 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL12871334 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL5003539 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL12858863 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL452334 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL113868 0.97 ITPR3 (0.89) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL14396732 0.97 ITPR3 (0.89) ITPR3ITPR2ITPR1INPP5ASMPD1

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-113502075-A Preparation method of environment-friendly metal pretreatment liquid capable of self-adsorption and rapid film formation 安徽大学绿色产业创新研究院 2021-10-15 — — CN claimed
CN-105805426-B Pipeline runs through device 上海火克新材料有限公司 2017-10-27 — — CN claimed
CN-112551702-B Microbial wax for water treatment and preparation method thereof 杭州秀川科技有限公司 2022-11-29 — — CN disclosed
CN-113502075-A Preparation method of environment-friendly metal pretreatment liquid capable of self-adsorption and rapid film formation 安徽大学绿色产业创新研究院 2021-10-15 — — CN disclosed
CN-112174335-B Porous slow-release wax loaded with microbial carbon source and preparation method and application thereof 浙江大学舟山海洋研究中心 2021-05-25 — — CN disclosed
CN-112551702-A Microbial wax for water treatment and preparation method thereof 杭州秀川科技有限公司 2021-03-26 — — CN disclosed
CN-112174335-A Porous slow-release wax loaded with microbial carbon source and preparation method and application thereof 浙江大学舟山海洋研究中心 2021-01-05 — — CN disclosed
CN-105805426-B Pipeline runs through device 上海火克新材料有限公司 2017-10-27 — — CN disclosed
US-5055597-A SYNTHESIS OF INOSITOL PHOSPHATES MERCK SHARP & DOHME LTD. (GB) 1991-10-08 — — US disclosed
US-4906761-A Myo-inositol orthoformates MERCK SHARPE & DOHME LTD. (GB) 1990-03-06 — — US disclosed
Send feedback