Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Ammonia Solution, Strong. 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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL41 | 0.94 | — | — | |
| Potassium Ion SCHEMBL14630574 | 0.94 | TSHR (0.30) | — | |
| Water SCHEMBL182730 | 0.88 | — | — | |
| Potassium Ion SCHEMBL4441965 | 0.88 | — | — | |
| Potassium Ion SCHEMBL8645894 | 0.88 | — | — | |
| Potassium Ion SCHEMBL21360011 | 0.88 | — | — | |
| Potassium Ion SCHEMBL9325821 | 0.88 | — | — | |
| Potassium Ion SCHEMBL3178692 | 0.88 | — | — | |
| Potassium Ion SCHEMBL2866209 | 0.88 | — | — | |
| Potassium Ion SCHEMBL31491129 | 0.88 | — | — |
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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106565698-B | Substituted thiazole analog derivative and its preparation method and application | 南京帕隆材料科技有限公司 | 2019-03-08 | — | — | CN | disclosed |
| US-10077270-B2 | HIV inhibiting bicyclic pyrimidine derivatives | JANSSEN SCIENCES IRELAND UC (IE) | 2018-09-18 | — | — | US | disclosed |
| US-10072015-B2 | HIV inhibiting bicyclic pyrimidine derivatives | JANSSEN SCIENCES IRELAND UC (IE) | 2018-09-11 | — | — | US | disclosed |
| US-20180016281-A1 | HIV INHIBITING BICYCLIC PYRIMIDINE DERIVATIVES | JANSSEN SCIENCES IRELAND UC (IE) | 2018-01-18 | — | — | US | disclosed |
| US-20180009819-A1 | HIV INHIBITING BICYCLIC PYRIMIDINE DERIVATIVES | JANSSEN SCIENCES IRELAND UC (IE) | 2018-01-11 | — | — | US | disclosed |
| US-9802943-B2 | HIV inhibiting bicyclic pyrimidine derivatives | JANSSEN SCIENCES IRELAND UC (IE) | 2017-10-31 | — | — | US | disclosed |
| CN-106565698-A | Substituted thiazole derivative, and preparation method and application thereof | 南京帕隆材料科技有限公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-103012397-B | Pyrazolo (E)-3-(3-Acetyl-4-hydroxy-5-methoxy-phenyl)-N-(4-hydroxy-1-methyl-3-octyloxy-2-oxo-1,2-dihydro-quinolin-7-yl)-acrylamide, its preparation method and its therapeutic use | 赛诺菲 | 2017-03-01 | — | — | CN | disclosed |
| CN-106458881-A | Carotenoid derivative, pharmaceutically acceptable salt thereof, and pharmaceutically acceptable ester or amide thereof | 富士化学工业株式会社 | 2017-02-22 | — | — | CN | disclosed |
| US-20160355519-A1 | HIV INHIBITING BICYCLIC PYRIMIDINE DERIVATIVES | JANSSEN SCIENCES IRELAND UC (IE) | 2016-12-08 | — | — | US | disclosed |
| US-20090215759-A1 | MODULATORS FOR AMYLOID BETA | HOFFMANN-LA ROCHE, INC. | 2009-08-27 | — | — | US | disclosed |
| US-20090187032-A1 | INDUSTRIAL PROCESS FOR THE SYNTHESIS OF 17alpha-ACETOXY-11beta-[4-(N,N-DIMETHYL-AMINO)-PHENYL]-19-NORPREGNA-4,9-DIENE-3,20-DIONE AND NEW INTERMEDIATES OF THE PROCESS | RICHTER GEDEON NYRT. (HU) | 2009-07-23 | — | — | US | disclosed |
| EP-2027140-A1 | INDUSTRIAL PROCESS FOR THE SYNTHESIS OF 17 ALPHA -ACETOXY-11 BETA -[4-(N,N-DIMETHYL-AMINO)- PHENYL]-19-NORPREGNA-4,9-DIENE-3,20-DIONE AND NEW INTERMEDIATES OF THE PROCESS | Richter Gedeon NYRT (HU) | 2009-02-25 | — | — | EP | disclosed |
| US-20080085907-A1 | Hiv Inhibiting Bicyclic Pyrimdine Derivatives | JANSSEN-CILAG (FR) | 2008-04-10 | — | — | US | disclosed |
| WO-2007144674-A1 | INDUSTRIAL PROCESS FOR THE SYNTHESIS OF 17α-ACETOXY-11β-[4-(N,N-DIMETHYL-AMINO)- PHENYL]-19-NORPREGNA-4,9-DIENE-3,20-DIONE AND NEW INTERMEDIATES OF THE PROCESS | RICHTER GEDEON NYRT (HU) | 2007-12-21 | — | — | WO | disclosed |
| EP-1807430-A1 | HIV INHIBITING BICYCLIC PYRIMIDINE DERIVATIVES | Tibotec Pharmaceuticals Ltd. (IE) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006045828-A1 | HIV INHIBITING BICYCLIC PYRIMIDINE DERIVATIVES | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2006-05-04 | — | — | WO | disclosed |
| US-5086052-A | Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis | ABBOTT LABORATORIES (US) | 1992-02-04 | — | — | US | disclosed |
| US-4970210-A | ENZYME INHIBITORS | ABBOTT LABORATORIES (US) | 1990-11-13 | — | — | US | disclosed |
| EP-0299449-A2 | Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds | ABBOTT LABORATORIES (US) | 1989-01-18 | — | — | EP | disclosed |