SCHEMBL29001084

SCHEMBL29001084

Cc1ccc(OB(O)O)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.45
▸ TDP1 Q9NUW8 6/20 0.45
▸ CASP1 P29466 2/20 0.45
▸ MAPT P10636 4/20 0.42
▸ CYP3A4 P08684 6/20 0.42
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ THRB P10828 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ TSHR P16473 4/20 0.36
▸ NR4A1 P22736 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33

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
SCHEMBL30662001 1.00 ALDH1A1 (0.45) ALDH1A1TDP1CASP1MAPTCYP3A4
SCHEMBL30400387 0.88 ALDH1A1 (0.44) ALDH1A1TDP1CASP1MAPTCYP3A4
SCHEMBL4859496 0.81 TDP1 (0.46) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL28074392 0.78 TSHR (0.43) ALDH1A1TDP1CASP1MAPTCYP3A4
SCHEMBL28043404 0.77 ALDH1A1 (0.63) ALDH1A1TDP1MAPTCYP3A4KMT2A
SCHEMBL8167265 0.76 NR4A1 (0.61) ALDH1A1TDP1CASP1MAPTCYP3A4
SCHEMBL31505704 0.76 CA12 (0.47) ALDH1A1TDP1MAPTCYP3A4KMT2A
SCHEMBL30395505 0.76 HDAC1 (0.42) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL27932764 0.76 CA12 (0.47) ALDH1A1TDP1MAPTCYP3A4KMT2A
SCHEMBL30078218 0.76 NR4A1 (0.35) ALDH1A1TDP1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119524807-A Functionalized boric acid affinity filler and preparation method and application thereof 苏州赛分科技股份有限公司 2025-02-28 — — CN claimed
CN-116077685-B Radionuclide-labeled boron-containing medicament and preparation and application thereof 成都纽瑞特医疗科技股份有限公司 2024-11-26 — — CN claimed
CN-116077655-B Boron-containing medicine and its preparation method 成都纽瑞特医疗科技股份有限公司 2024-11-26 — — CN claimed
WO-2024169525-A1 BORON-CONTAINING DRUG AND PREPARATION METHOD THEREFOR 成都纽瑞特医疗科技股份有限公司 2024-08-22 — — WO claimed
WO-2024169524-A1 RADIONUCLIDE-LABELED BORON-CONTAINING DRUG, AND PREPARATION AND USE THEREOF 成都纽瑞特医疗科技股份有限公司 2024-08-22 — — WO claimed
CN-111381458-B Photoresist cleaning solution 安集微电子科技(上海)股份有限公司 2024-04-30 — — CN claimed
CN-116077685-A Radionuclide-labeled boron-containing medicament and preparation and application thereof 成都纽瑞特医疗科技股份有限公司 2023-05-09 — — CN claimed
CN-119524807-A Functionalized boric acid affinity filler and preparation method and application thereof 苏州赛分科技股份有限公司 2025-02-28 — — CN disclosed
CN-116077685-B Radionuclide-labeled boron-containing medicament and preparation and application thereof 成都纽瑞特医疗科技股份有限公司 2024-11-26 — — CN disclosed
CN-116077655-B Boron-containing medicine and its preparation method 成都纽瑞特医疗科技股份有限公司 2024-11-26 — — CN disclosed
WO-2024169525-A1 BORON-CONTAINING DRUG AND PREPARATION METHOD THEREFOR 成都纽瑞特医疗科技股份有限公司 2024-08-22 — — WO disclosed
WO-2024169524-A1 RADIONUCLIDE-LABELED BORON-CONTAINING DRUG, AND PREPARATION AND USE THEREOF 成都纽瑞特医疗科技股份有限公司 2024-08-22 — — WO disclosed
CN-111381458-B Photoresist cleaning solution 安集微电子科技(上海)股份有限公司 2024-04-30 — — CN disclosed
CN-116077685-A Radionuclide-labeled boron-containing medicament and preparation and application thereof 成都纽瑞特医疗科技股份有限公司 2023-05-09 — — CN disclosed
CN-116077655-A Boron-containing medicine and its preparation method 成都纽瑞特医疗科技股份有限公司 2023-05-09 — — CN disclosed
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