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 | |
|---|---|---|---|---|
| Bromide SCHEMBL433673 | 1.00 | — | — | |
| Bromide SCHEMBL3456703 | 0.87 | — | — | |
| Bromide SCHEMBL8904552 | 0.87 | — | — | |
| Bromide SCHEMBL7937591 | 0.87 | — | — | |
| Bromide SCHEMBL23326424 | 0.82 | — | — | |
| Bromide SCHEMBL29077788 | 0.82 | — | — | |
| Bromide SCHEMBL401797 | 0.82 | — | — | |
| Bromide SCHEMBL1524665 | 0.82 | — | — | |
| Bromide SCHEMBL2144385 | 0.82 | — | — | |
| Bromide SCHEMBL27497036 | 0.82 | — | — |
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-105801366-B | A kind of synthetic method of bromo alkylating agent | 广西梧州制药（集团）股份有限公司 | 2019-11-22 | — | — | CN | disclosed |
| CN-110255769-A | A kind for the treatment of process of the aqueous solution for terephthalic acid production plant | 佰仕邦水处理环保科技(大连)有限公司 | 2019-09-20 | — | — | CN | disclosed |
| CN-110128266-A | Treatment process of mother liquor extract for purified terephthalic acid oxidation unit | 佰仕邦水处理环保科技(大连)有限公司 | 2019-08-16 | — | — | CN | disclosed |
| US-20150148298-A1 | N-CARBOXYALKYL-AURISTATIN AND USE THEREOF | SEATTLE GENETICS, INC. (US) | 2015-05-28 | — | — | US | disclosed |
| CN-103764667-A | N-carboxyalkyl auristatins and their use | Bayer Pharma AG | 2014-04-30 | — | — | CN | disclosed |
| US-6642417-B2 | Solid phase synthesis; libraries | PHARMACOPEIA DRUG DISCOVERY, INC. | 2003-11-04 | — | — | US | disclosed |
| US-6310244-B1 | DEMONSTRATES THE ABILITY TO WITHSTAND MANY COMMON REACTION CONDITIONS AND YET IS CLEAVABLE UNDER RELATIVELY MILD CONDITIONS. | PHARMACOPEIA, INC. | 2001-10-30 | — | — | US | disclosed |
| WO-2000005197-A1 | PHOTOCLEAVABLE AND ACID CLEAVABLE LINKERS FOR COMBINATORIAL CHEMISTRY | PHARMACOPEIA, INC. (US) | 2000-02-03 | — | — | WO | disclosed |
| EP-0946560-A1 | METHOD OF PREPARATION OF PHYSOSTIGMINE CARBAMATE DERIVATIVES FROM ESEROLINE ETHERS | HOECHST MARION ROUSSEL, INC. (US) | 1999-10-06 | — | — | EP | disclosed |
| US-5961942-A | HIGH PRESSURE EXHAUST GAS STREAM IN A BROMINE ASSISTED AIR OXIDATION PROCESS IN WHICH THE EXHAUST GAS CONTAINS METHYL BROMIDE. | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-10-05 | — | — | US | disclosed |
| WO-1998027096-A1 | METHOD OF PREPARATION OF PHYSOSTIGMINE CARBAMATE DERIVATIVES FROM ESEROLINE ETHERS | HOECHST MARION ROUSSEL, INC. (US) | 1998-06-25 | — | — | WO | disclosed |
| US-5677457-A | REACTING ESERETHOLE WITH LITHIUM BROMIDE AND HYDROBROMIC ACID TO FORM ESEROLINE COMPOUND, TREATING WITH ISOCYANATE OR CARBONYLDIIMIDAZOLE | HOECHST MARION ROUSSEL, INC. (US) | 1997-10-14 | — | — | US | disclosed |
| EP-0031200-B1 | METHOD OF RECOVERING BROMINE FROM METHYL BROMIDE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-08-29 | — | — | EP | disclosed |
| US-4356159-A | VAPOR PHASE CATALYTIC OXIDATION | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1982-10-26 | — | — | US | disclosed |
| US-4299714-A | Hydrocarbon based central system fluid composition | NIPPON OIL COMPANY, LTD. (JP) | 1981-11-10 | — | — | US | disclosed |
| EP-0031200-A1 | Method of recovering bromine from methyl bromide | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-07-01 | — | — | EP | disclosed |