Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Isopropyl Alcohol. 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL31749076 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL8073621 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL27846275 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL7740141 | 0.94 | ALDH1A1 (0.75) | — | |
| Isopropyl Alcohol SCHEMBL890876 | 0.93 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL10729977 | 0.93 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL29814955 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL29500440 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL385 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL16914724 | 0.93 | — | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117720591-A | Synthesis method of 14-methyl ether epirubicin | 浙江亚瑟医药有限公司 | 2024-03-19 | — | — | CN | claimed |
| CN-108658851-A | Chloro- 3- methyl -6- acyl amino pyridines of 2- and its preparation method and application | 山东特珐曼药业有限公司 | 2018-10-16 | — | — | CN | claimed |
| CN-117720591-A | Synthesis method of 14-methyl ether epirubicin | 浙江亚瑟医药有限公司 | 2024-03-19 | — | — | CN | disclosed |
| CN-114685399-A | Preparation method of urapidil intermediate 1- (2-methoxyphenyl) piperazine and salt thereof | 河北广祥制药有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-106316985-B | Beta type efficient vortioxetine hydrobromide crystal transformation method | 郑州深蓝海生物医药科技有限公司 | 2021-11-09 | — | — | CN | disclosed |
| CN-106316985-B | Beta type efficient vortioxetine hydrobromide crystal transformation method | 郑州深蓝海生物医药科技有限公司 | 2021-11-09 | — | — | CN | disclosed |
| CN-108440570-B | Preparation method of ceftiofur ester compound or halogen salt thereof | 济宁市化工研究院 | 2020-12-04 | — | — | CN | disclosed |
| CN-111601806-A | ROR gamma inhibitors | 生命医药有限责任公司 | 2020-08-28 | — | — | CN | disclosed |
| US-20180243309-A1 | TOPICAL ANTIVIRAL COMPOSITIONS | TOPICAL REMEDY LLC (US) | 2018-08-30 | — | — | US | disclosed |
| EP-3344265-A1 | TOPICAL ANTIVIRAL COMPOSITIONS | Topical Remedy, LLC (US) | 2018-07-11 | — | — | EP | disclosed |
| US-9822086-B2 | Process for the preparation of vortioxetine salts | EGIS GYOGYSZERGYAR ZRT. (HU) | 2017-11-21 | — | — | US | disclosed |
| CN-104736526-A | Vortioxetine salt and crystal thereof, their preparation method, pharmaceutical compositions and usage | HANGZHOU PUSHAI PHARMACEUTICAL TECHNOLOGY CO LTD | 2015-06-24 | — | — | CN | disclosed |
| WO-2015035802-A1 | VORTIOXETINE SALT AND CRYSTAL THEREOF, THEIR PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USAGE | 杭州普晒医药科技有限公司 (CN) | 2015-03-19 | — | — | WO | disclosed |
| EP-1686967-A2 | CARVEDILOL FREE BASE, SALTS, ANHYDROUS FORMS OR SOLVATES THEREOF, CORRESPONDING PHARMACEUTICAL COMPOSITIONS, CONTROLLED RELEASE FORMULATIONS, AND TREATMENT OR DELIVERY METHODS | SB Pharmco Puerto Rico Inc (PR) | 2006-08-09 | — | — | EP | disclosed |
| WO-2005051325-A2 | CARVEDILOL COMPOSITIONS METHODS OF TREATMENT AND DELIVERY | SB PHARMCO PUERTO RICO INC. (PR) | 2005-06-09 | — | — | WO | disclosed |
| US-6114565-A | Process for obtaining nitriles | MILLENNIUM SPECIALTY CHEMICALS (US) | 2000-09-05 | — | — | US | disclosed |
| WO-1998024789-A1 | PROCESS FOR MAKING η-METHYLENE-10-DEAZAAMINOPTERIN (MDAM) | BIONUMERIK PHARMACEUTICALS, INC. (US) | 1998-06-11 | — | — | WO | disclosed |
| US-4594342-A | Anticoagulants | TANABE SEIYAKU CO., LTD. (JP) | 1986-06-10 | — | — | US | disclosed |
| US-4488914-A | INDIUM PHOSPHIDE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 1984-12-18 | — | — | US | disclosed |
| US-3960959-A | N,N'-bis{6-[(3,4-dihydroxyphenyl)alkylamino]-hexyl}hexamethylenediamines and the salts thereof | SANDOZ LTD. (CH) | 1976-06-01 | — | — | US | disclosed |