Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGLRA1GLRBKCNK10KCNK18KCNK2KCNK3KCNK9
The experimentally established mechanism targets of Halothane. 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 | |
|---|---|---|---|---|
| Halothane SCHEMBL6289622 | 0.96 | — | — | |
| Halothane SCHEMBL25588 | 0.96 | — | — | |
| Halothane SCHEMBL1612295 | 0.96 | HSD17B10 (1.00) | — | |
| Halothane SCHEMBL337605 | 0.96 | — | — | |
| Halothane SCHEMBL443681 | 0.96 | — | — | |
| Halothane SCHEMBL5961792 | 0.92 | HSD17B10 (0.92) | — | |
| Halothane SCHEMBL15475924 | 0.88 | — | — | |
| Halothane SCHEMBL8902191 | 0.85 | HSD17B10 (0.79) | — | |
| Halothane SCHEMBL10725043 | 0.85 | — | — | |
| Halothane SCHEMBL9138026 | 0.77 | ALDH1A1 (0.65) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106481649-A | Slip cable and controlling cable | 黄石昌达线缆有限公司 | 2017-03-08 | — | — | CN | claimed |
| EP-2344196-B1 | CARBOHYDRATE BINDING MOLECULES | UNIV COURT UNIV ST ANDREWS (GB) | 2018-11-14 | — | — | EP | disclosed |
| CN-104093715-B | 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives | 埃科特莱茵药品有限公司 | 2017-04-26 | — | — | CN | disclosed |
| CN-102889424-B | High temperature coating resistant to damage from decompression | 韦特柯格雷公司 | 2017-04-12 | — | — | CN | disclosed |
| CN-106481649-A | Slip cable and controlling cable | 黄石昌达线缆有限公司 | 2017-03-08 | — | — | CN | disclosed |
| CN-104284929-B | Polymer beads, comprise it aqueous dispersion and use its coat composition of fluorine | 纳幕尔杜邦公司 | 2017-03-01 | — | — | CN | disclosed |
| CN-104684896-B | N [4 (quinoline 4 base epoxide) cyclohexyl (methyl)] (miscellaneous) aryl carboxamides, its preparation method and the purposes as medicine thereof as androgen receptor antagonists | Bayer Pharma AG (DE) | 2016-11-30 | — | — | CN | disclosed |
| CN-104334544-B | Benzimidazole proline derivative | 埃科特莱茵药品有限公司 | 2016-10-19 | — | — | CN | disclosed |
| CN-105936829-A | Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element containing same | 奇美实业股份有限公司 | 2016-09-14 | — | — | CN | disclosed |
| CN-105745233-A | Polymerizable compound, polymerizable composition, polymer, and optically anisotropic body | 日本瑞翁株式会社 | 2016-07-06 | — | — | CN | disclosed |
| CN-102215871-B | Sugar binding molecule | 圣安德鲁斯大学董事会 | 2016-06-29 | — | — | CN | disclosed |
| US-9066894-B2 | Carbohydrate binding molecules | UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) | 2015-06-30 | — | — | US | disclosed |
| US-20110269670-A1 | CARBOHYDRATE BINDING MOLECULES | PNEUMAGEN LIMITED (GB) | 2011-11-03 | — | — | US | disclosed |
| CN-102215871-A | Carbohydrate binding molecules | UNIV ST ANDREWS | 2011-10-12 | — | — | CN | disclosed |
| EP-2344196-A1 | CARBOHYDRATE BINDING MOLECULES | The University Court of the University of St. Andrews (GB) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010029312-A1 | CARBOHYDRATE BINDING MOLECULES | UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) | 2010-03-18 | — | — | WO | disclosed |
| US-3991198-A | PIPEROXAN | NELSON RESEARCH & DEVELOPMENT COMPANY (US) | 1976-11-09 | — | — | US | disclosed |