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 | |
|---|---|---|---|---|
| SCHEMBL232032 | 0.97 | — | — | |
| Iodide SCHEMBL31317516 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL31317509 | 0.94 | — | — | |
| SCHEMBL2788607 | 0.84 | NOS3 (0.75) | — | |
| Bromide SCHEMBL3074212 | 0.79 | — | — | |
| Bromide SCHEMBL5667040 | 0.79 | — | — | |
| Bromide SCHEMBL1843806 | 0.79 | — | — | |
| Bromide SCHEMBL7204393 | 0.79 | — | — | |
| SCHEMBL2787759 | 0.77 | NOS3 (0.62) | — | |
| Phosphoric Acid Monomethyl Ester SCHEMBL8136601 | 0.77 | NOS3 (0.62) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119462497-A | Pyridopyrimidinone Process for the preparation of compounds | 上海皓元医药股份有限公司 | 2025-02-18 | — | — | CN | claimed |
| WO-2024221005-A2 | METHODS FOR INHIBITING RESISTANCE TO IMMUNE BLOCKADE INHIBITOR THERAPY | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2024-10-24 | — | — | WO | claimed |
| US-20200038509-A1 | RADIOFREQUENCY FIELD HYPERTHERMIA AND SOLID TUMOR IMMUNOMODULATION | BAYLOR COLLEGE OF MEDICINE | 2020-02-06 | — | — | US | claimed |
| WO-2018071837-A1 | RADIOFREQUENCY FIELD HYPERTHERMIA AND SOLID TUMOR IMMUNOMODULATION | BAYLOR COLLEGE OF MEDICINE (US) | 2018-04-19 | — | — | WO | claimed |
| CN-119462497-A | Pyridopyrimidinone Process for the preparation of compounds | 上海皓元医药股份有限公司 | 2025-02-18 | — | — | CN | disclosed |
| US-12163161-B2 | In vitro method for identifying thoracic aortic aneurysms (TAA) in a subject | CENTRO NACIONAL DE INVESTIGACIONES CARDIOVASCULARES CARLOS III (F.S.P.) (ES) | 2024-12-10 | — | — | US | disclosed |
| WO-2024221005-A2 | METHODS FOR INHIBITING RESISTANCE TO IMMUNE BLOCKADE INHIBITOR THERAPY | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2024-10-24 | — | — | WO | disclosed |
| EP-3427061-B1 | USE OF SELECTIVE INOS INHIBITORS FOR TREATING THORACIC AORTIC ANEURYSM | CENTRO NAC DE INVESTIGACIONES CARDIOVASCULARES CARLOS III F S P (ES) | 2023-12-06 | — | — | EP | disclosed |
| US-20210363501-A1 | IN VITRO METHOD FOR IDENTIFYING THORACIC AORTIC ANEURYSMS (TAA) IN A SUBJECT | CENTRO NAC DE INVESTIGACIONES CARDIOVASCULARES CARLOS III F S P (ES) | 2021-11-25 | — | — | US | disclosed |
| US-10907135-B2 | In vitro method for identifying thoracic aortic aneurysms (TAA) in a subject | CENTRO NACIONAL DE INVESTIGACIONES CARDIOVASCULARES CARLOS III (F.S.P.) (ES) | 2021-02-02 | — | — | US | disclosed |
| US-20200038509-A1 | RADIOFREQUENCY FIELD HYPERTHERMIA AND SOLID TUMOR IMMUNOMODULATION | BAYLOR COLLEGE OF MEDICINE | 2020-02-06 | — | — | US | disclosed |
| US-20190112582-A1 | IN VITRO METHOD FOR IDENTIFYING THORACIC AORTIC ANEURYSMS (TAA) IN A SUBJECT | CENTRO NACIONAL DE INVESTIGACIONES CARDIOVASCULARES CARLOS III (F.S.P.) (ES) | 2019-04-18 | — | — | US | disclosed |
| EP-3427061-A1 | IN VITRO METHOD FOR IDENTIFYING THORACIC AORTIC ANEURYSMS (TAA) IN A SUBJECT | Centro Nacional de Investigaciones Cardiovasculares Carlos III (F.S.P.) (ES) | 2019-01-16 | — | — | EP | disclosed |
| WO-2018071837-A1 | RADIOFREQUENCY FIELD HYPERTHERMIA AND SOLID TUMOR IMMUNOMODULATION | BAYLOR COLLEGE OF MEDICINE (US) | 2018-04-19 | — | — | WO | disclosed |
| WO-2017153023-A1 | IN VITRO METHOD FOR IDENTIFYING THORACIC AORTIC ANEURYSMS (TAA) IN A SUBJECT | CNIC FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES CARDIOVASCULARES CARLOS III (ES) | 2017-09-14 | — | — | WO | disclosed |
| WO-2002031189-A2 | MODEL SYSTEM FOR THE VIVO STUDY OF APOPTOSIS | EIRX THERAPEUTIC LIMITED (IE) | 2002-04-18 | — | — | WO | disclosed |