Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL542418 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL30717619 | 0.95 | — | — | |
| Bromide SCHEMBL6441269 | 0.79 | EPHX1 (0.32) | — | |
| Ethoxycarbonyl Group SCHEMBL27836578 | 0.77 | HTR2A (0.31) | — | |
| Tert-Butyl Formate SCHEMBL27487852 | 0.77 | TDP1 (0.41) | — | |
| SCHEMBL15001431 | 0.76 | — | — | |
| Bromide SCHEMBL15006754 | 0.74 | HTR2A (0.32) | — | |
| Bromide SCHEMBL9272773 | 0.71 | — | — | |
| SCHEMBL15024225 | 0.71 | HTR2A (0.33) | — | |
| SCHEMBL14303750 | 0.68 | — | — |
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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12391690-B2 | Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same | LIGACHEM BIOSCIENCES INC. (KR) | 2025-08-19 | — | — | US | disclosed |
| US-11993595-B2 | Compounds | MISSION THERAPEUTICS LIMITED (GB) | 2024-05-28 | — | — | US | disclosed |
| CN-111592534-B | New compounds | 特殊治疗有限公司 | 2023-06-30 | — | — | CN | disclosed |
| US-20230123569-A1 | COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | LIGACHEM BIOSCIENCES INC. (KR) | 2023-04-20 | — | — | US | disclosed |
| US-20230052191-A1 | NOVEL COMPOUNDS | MISSION THERAPEUTICS LTD (GB) | 2023-02-16 | — | — | US | disclosed |
| US-11548883-B2 | Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same | LEGOCHEM BIOSCIENCES, INC. (KR) | 2023-01-10 | — | — | US | disclosed |
| US-11472798-B2 | Compounds | MISSION THERAPEUTICS LTD (GB) | 2022-10-18 | — | — | US | disclosed |
| EP-3442973-B1 | NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | LEGOCHEM BIOSCIENCES INC (KR) | 2022-08-31 | — | — | EP | disclosed |
| CN-109476664-B | Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same | 乐高化学生物科学股份有限公司 | 2021-08-10 | — | — | CN | disclosed |
| EP-3828179-A1 | CYANOPYRROLIDINES AS DUB MODULATORS | Mission Therapeutics Limited (GB) | 2021-06-02 | — | — | EP | disclosed |
| US-6642242-B2 | Antiproliferative agents to treat benign prostatic hyperplasia | PFIZER INC. | 2003-11-04 | — | — | US | disclosed |
| US-20020049322-A1 | Quinoline and quinazoline compounds useful in therapy | COLLIS ALAN JOHN (GB) | 2002-04-25 | — | — | US | disclosed |
| US-6103727-A | RESISTING AND TREATING PNEUNOCYSTIS CARINII AND TOXOPLASMOSIS GONDII INFECTIONS IN IMMUNOCOMPROMISED PATIENTS; AUTOMIMMUNE DISEASES; AIDS; ANTICARCINOGENIC,-TUMOR,-PROTAZOA AGENTS; MALARIA; FUNGICIDES; SYNERGISTIC WITH SULFONAMIDES | DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) | 2000-08-15 | — | — | US | disclosed |
| US-6103738-A | Quinoline and quinazoline compounds useful in therapy | PFIZER INC. (US) | 2000-08-15 | — | — | US | disclosed |
| EP-0877734-B1 | QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY | PFIZER RES & DEV (IE) | 2000-07-12 | — | — | EP | disclosed |
| US-5877178-A | AIDS THERAPY | DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) | 1999-03-02 | — | — | US | disclosed |
| EP-0877734-A1 | QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY | Pfizer Research and Development Company, N.V./S.A. (IE) | 1998-11-18 | — | — | EP | disclosed |
| WO-1997023462-A1 | QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY | PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) | 1997-07-03 | — | — | WO | disclosed |
| US-5607944-A | ANTICOAGULANTS | KARL THOMAE GMBH (DE) | 1997-03-04 | — | — | US | disclosed |
| EP-0639575-A1 | Bicyclic heterocycles, medicaments comprising these compounds and processes for their production | Dr. Karl Thomae GmbH (DE) | 1995-02-22 | — | — | EP | disclosed |