SCHEMBL25336

SCHEMBL25336

Oc1ccccc1COBr

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.61
HSPA5 P11021 1/20 0.54
KEAP1 Q14145 1/20 0.48
TSHR P16473 2/20 0.48
HIF1A Q16665 2/20 0.48
CYP2D6 P10635 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46
AKR1B1 P15121 1/20 0.46
CA12 O43570 6/20 0.45
CA2 P00918 6/20 0.45
CA9 Q16790 4/20 0.43
MPO P05164 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 1/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
EGFR P00533 1/20 0.41
LMNA P02545 1/20 0.41
FYN P06241 1/20 0.41

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
SCHEMBL11453784 0.98 IDO1 (0.59) IDO1HSPA5KEAP1TSHRHIF1A
SCHEMBL126999 0.80 IDO1 (0.67) IDO1HSPA5KEAP1TSHRHIF1A
SCHEMBL7101247 0.78 IDO1 (0.64) IDO1HSPA5KEAP1TSHRHIF1A
SCHEMBL557812 0.76 IDO1 (0.61) IDO1HSPA5KEAP1TSHRHIF1A
SCHEMBL14538248 0.76 IDO1 (1.00) IDO1HSPA5KEAP1TSHRHIF1A
SCHEMBL11791488 0.76 IDO1 (0.61) IDO1HSPA5KEAP1TSHRHIF1A
SCHEMBL28604987 0.76 IDO1 (0.61) IDO1HSPA5KEAP1TSHRHIF1A
SCHEMBL3507940 0.74 IDO1 (0.59) IDO1HSPA5KEAP1TSHRHIF1A
SCHEMBL10501140 0.74 IDO1 (0.59) IDO1HSPA5KEAP1TSHRHIF1A
SCHEMBL6535148 0.73 IDO1 (0.57) IDO1HSPA5KEAP1TSHRHIF1A

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

Appears in 2393 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240315965-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2024-09-26 US claimed
US-20240041935-A1 PREVENTION AND TREATMENT OF REPRODUCTIVE FAILURE BY REGENERATIVE CELLS AND ADJUVANTS CREATIVE MEDICAL TECHNOLOGIES, INC. (US) 2024-02-08 US claimed
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 US claimed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed
WO-2022182523-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed
WO-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
WO-2021158575-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
US-20210145763-A1 LOW THC HEMP EXTRACT AND METHOD OF TREATMENT OR PREVENTION OF AN EYE DISEASE EYE CO PTY LTD. (AU) 2021-05-20 US claimed
EP-3773651-A1 LOW THC HEMP EXTRACT AND METHOD OF TREATMENT OR PREVENTION OF AN EYE DISEASE Eye Co Pty Ltd. (AU) 2021-02-17 EP claimed
WO-2019191800-A1 LOW THC HEMP EXTRACT AND METHOD OF TREATMENT OR PREVENTION OF AN EYE DISEASE EYE CO PTY LTD (AU) 2019-10-10 WO claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO claimed
EP-0786999-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1999-01-20 EP claimed
EP-0792371-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1998-12-30 EP claimed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 EP claimed
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 EP claimed
US-5543417-A 5 Alpha-reductase inhibitor and at least one of an antibacterial agent, a keratolytic agent or an anti-inflammatory agent MERCK & CO., INC. (US) 1996-08-06 US claimed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed
EP-0046270-B1 NOVEL DERIVATIVES OF BIO-AFFECTING PHENOLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITION CONTAINING THEM INTERx RESEARCH CORPORATION (US) 1986-05-21 EP claimed
EP-0046270-A1 Novel derivatives of bio-affecting phenolic compounds and pharmaceutical composition containing them INTERx RESEARCH CORPORATION (US) 1982-02-24 EP claimed