Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL1436846 | 0.90 | — | — | |
| SCHEMBL251119 | 0.63 | — | — | |
| SCHEMBL1617155 | 0.63 | — | — | |
| SCHEMBL8524161 | 0.63 | — | — | |
| Bromide SCHEMBL19878750 | 0.61 | — | — | |
| Bromide SCHEMBL20139599 | 0.60 | — | — | |
| Bromide SCHEMBL5193860 | 0.60 | — | — | |
| Bromide SCHEMBL17200271 | 0.60 | — | — | |
| Bromide SCHEMBL22750622 | 0.60 | — | — | |
| Bromide SCHEMBL2059865 | 0.60 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11884661-B2 | 3-substituted propionic acids as αV integrin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2024-01-30 | — | — | US | disclosed |
| EP-3538525-B1 | 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2022-06-22 | — | — | EP | disclosed |
| CN-110167935-B | 3-substituted propionic acids as alpha V integrin inhibitors | 百时美施贵宝公司 | 2022-05-27 | — | — | CN | disclosed |
| US-20210188847-A1 | 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2021-06-24 | — | — | US | disclosed |
| US-10968219-B2 | 3-substituted propionic acids as αV integrin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-04-06 | — | — | US | disclosed |
| EP-3538525-A1 | 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS | Bristol-Myers Squibb Company (US) | 2019-09-18 | — | — | EP | disclosed |
| US-20190263808-A1 | 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-08-29 | — | — | US | disclosed |
| CN-110167935-A | The propionic acid that 3- as α V integrin inhibitors is substituted | 百时美施贵宝公司 | 2019-08-23 | — | — | CN | disclosed |
| CN-109415280-A | Oxy-Cope rearrangement for the preparation of pesticidal cyclopentenes | 巴斯夫欧洲公司 | 2019-03-01 | — | — | CN | disclosed |
| WO-2018089353-A1 | 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |
| US-7875638-B2 | desoxyepothilone A and B; Fludelone; anticarcinogenic agents; drug resistance; water solubility for formulability; industrial scale; cytotoxic or growth inhibitory effects on CAG myeloma cells lines; ability to polymerize tubulin; minimum toxicity; isomerization of the double bonds in the ring | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2011-01-25 | — | — | US | disclosed |
| EP-2186811-A1 | Synthesis of epothilones, intermediates thereto, analogues and uses thereof | Sloan-Kettering Institute For Cancer Research (US) | 2010-05-19 | — | — | EP | disclosed |
| EP-1767535-B1 | Synthesis of epothilones, intermediates thereto, analogues and uses thereof | SLOAN KETTERING INST CANCER (US) | 2009-12-02 | — | — | EP | disclosed |
| US-20090149516-A1 | Synthesis of Epothilones, Intermediates Thereto, Analogues and Uses Thereof | DANISHEFSKY SAMUEL J | 2009-06-11 | — | — | US | disclosed |
| US-7384964-B2 | Synthesis of epothilones, intermediates thereto, analogues and uses thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2008-06-10 | — | — | US | disclosed |
| EP-1767535-A1 | Synthesis of epothilones, intermediates thereto, analogues and uses thereof | Sloan-Kettering Institute For Cancer Research (US) | 2007-03-28 | — | — | EP | disclosed |
| EP-1506203-B1 | SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO, ANALOGUES AND USES THEREOF | SLOAN KETTERING INST CANCER (US) | 2007-01-03 | — | — | EP | disclosed |
| US-20050143429-A1 | Synthesis of epothilones, intermediates thereto, analogues and uses thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2005-06-30 | — | — | US | disclosed |
| EP-1506203-A2 | SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO, ANALOGUES AND USES THEREOF | Sloan-Kettering Institute For Cancer Research (US) | 2005-02-16 | — | — | EP | disclosed |
| WO-2004018478-A2 | SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO, ANALOGUES AND USES THEREOF | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2004-03-04 | — | — | WO | disclosed |