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 SCHEMBL8712158 | 1.00 | — | — | |
| Bromide SCHEMBL8714882 | 0.97 | — | — | |
| SCHEMBL820172 | 0.97 | — | — | |
| SCHEMBL4480097 | 0.97 | — | — | |
| Chloromethane SCHEMBL9860929 | 0.95 | — | — | |
| SCHEMBL4576021 | 0.94 | — | — | |
| Methane SCHEMBL9168791 | 0.94 | — | — | |
| SCHEMBL8559679 | 0.94 | — | — | |
| SCHEMBL9579650 | 0.94 | — | — | |
| Fluoride SCHEMBL863576 | 0.94 | — | — |
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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9181356-B2 | Hydrogenation catalyst composition and hydrogenation method thereof | TSRC CORPORATION (TW) | 2015-11-10 | — | — | US | claimed |
| EP-2316862-B1 | Hydrogenation catalyst composition and hydrogenation method thereof | TSRC CORP (TW) | 2013-12-25 | — | — | EP | claimed |
| US-20110105694-A1 | HYDROGENATION CATALYST COMPOSITION AND HYDROGENATION METHOD THEREOF | TSRC CORPORATION (TW) | 2011-05-05 | — | — | US | claimed |
| EP-2316862-A1 | Hydrogenation catalyst composition and hydrogenation method thereof | TSRC Corporation (TW) | 2011-05-04 | — | — | EP | claimed |
| US-20100137525-A1 | Catalyst composition for hydrogenation and their use for hydrogenation conjugated diene polymer | CHI-MEI CORPORATION | 2010-06-03 | — | — | US | claimed |
| US-20080171653-A1 | Catalyst composition for hydrogenation and their use for hydrogenation conjugated diene polymer | CHI-MEI CORPORATION | 2008-07-17 | — | — | US | claimed |
| US-6313230-B1 | HYDROGENATING CONJUGATED DIENE POLYMERS IN PRESENCE OF HYDROGEN AND A HYDROGENATION CATALYST FORMULATION COMPRISING TITANIUM COMPOUND, SILYL HYDRIDE COMPOUND, POLYSILOXANE, SILAZAN COMPOUND, AND METALLIC COMPOUND | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 2001-11-06 | — | — | US | claimed |
| US-5242986-A | Bis/cyclopentadienyl/titanium hydrogenation catalyst | SHELL OIL COMPANY (US) | 1993-09-07 | — | — | US | claimed |
| EP-0549063-A2 | Selective hydrogenation of conjugated diolefin polymers | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-06-30 | — | — | EP | claimed |
| US-5206307-A | PROCESS FOR SELECTIVE HYDROGENATION OF CONJUGATED DIOLEFIN POLYMERS | SHELL OIL COMPANY (US) | 1993-04-27 | — | — | US | claimed |
| US-5173537-A | In the presence of bis(cyclopentadienyl) titanium compound | SHELL OIL COMPANY (US) | 1992-12-22 | — | — | US | claimed |
| EP-0339986-B1 | NOVEL CATALYST FOR HYDROGENATION OF POLYMER AND PROCESS FOR HYDROGENATING POLYMER WITH THE CATALYST | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1992-12-02 | — | — | EP | claimed |
| US-5132372-A | Process for selective hydrogenation of conjugated diolefin polymers | SHELL OIL COMPANY (US) | 1992-07-21 | — | — | US | claimed |
| US-5039755-A | Treating diolefin (co)polymers with group 1A compound to yield living polymer, endcapping with hydrogen, then catalytic hydrogenation | SHELL OIL COMPANY (US) | 1991-08-13 | — | — | US | claimed |
| US-20220324895-A1 | DEPOLYMERIZATION AND VALORIZATION OF A BIOPOLYMER | UNIV NEW YORK (US) | 2022-10-13 | — | — | US | disclosed |
| EP-3074450-B1 | MOISTURE CURABLE COMPOUND WITH METAL-ARENE COMPLEXES | MOMENTIVE PERFORMANCE MAT INC (US) | 2020-11-11 | — | — | EP | disclosed |
| US-10428162-B2 | Hydrogenation catalyst and process for producing olefin polymer | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2019-10-01 | — | — | US | disclosed |
| US-4704491-A | SYNTHETIC LUBRICANT OILS | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1987-11-03 | — | — | US | disclosed |
| EP-0200351-A2 | Liquid ethylene-type random copolymer, process for production thereof, and use thereof | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1986-11-05 | — | — | EP | disclosed |
| US-4501857-A | CONJUGATED DIENE POLYMERS USING AN ORGANIC TITANIUM COMPOUND AND LITHIUM HYDROCARBON; CATALYST SELECTIVITY | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1985-02-26 | — | — | US | disclosed |