⚠ 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 | |
|---|---|---|---|---|
| Tert-Butanol SCHEMBL28111339 | 0.94 | — | — | |
| Tert-Butanol SCHEMBL571470 | 0.94 | — | — | |
| Tert-Butanol SCHEMBL2261408 | 0.94 | — | — | |
| Tert-Butanol SCHEMBL27849026 | 0.88 | — | — | |
| Tert-Butanol SCHEMBL3890093 | 0.88 | ALDH1A1 (0.39) | — | |
| Tert-Butanol SCHEMBL27292163 | 0.88 | — | — | |
| Tert-Butanol SCHEMBL27449766 | 0.88 | ALDH1A1 (0.39) | — | |
| Tert-Butanol SCHEMBL979784 | 0.88 | — | — | |
| Tert-Butanol SCHEMBL3889749 | 0.88 | ALDH1A1 (0.39) | — | |
| Tert-Butanol SCHEMBL28003443 | 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 202 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109721630-A | A kind of synthetic method of Ugi ' s amine and its derivative | 上海茂晟康慧科技有限公司 | 2019-05-07 | — | — | CN | claimed |
| CN-109071572-A | Amino chlorine hydrogen disilane | 美国陶氏有机硅公司 | 2018-12-21 | — | — | CN | claimed |
| CN-103702929-B | Carbon-silicon composite material, method for preparing same, and negative active material comprising same | LG CHEM, LTD. (KR) | 2015-09-09 | — | — | CN | claimed |
| CN-103626822-B | Synthetic method of 25-hydroxycholesterol | UNIV ZHEJIANG | 2015-04-22 | — | — | CN | claimed |
| CN-104109182-A | Preparation method of gemcitabine hydrochloride | CHINA MEDICINE RES & DEV CT CO LTD | 2014-10-22 | — | — | CN | claimed |
| CN-104059118-A | Method for high-efficiency stereoselective one-step reduction of 4-ene-3-one in steroid skeleton into 3a-hydroxy-5b-hydrogen A/B cis-structure | UNIV FUDAN | 2014-09-24 | — | — | CN | claimed |
| CN-103980234-A | Preparation method for intermediate 3-isopropylfuranone derivatives of blood-pressure-reducing medicine aliskiren | CHENGDU ORGANIC CHEMICALS CO | 2014-08-13 | — | — | CN | claimed |
| CN-103421014-B | Synthesis method of galanthamine | TIANJIN HAIGELI TECHNOLOGY DEV CO LTD | 2014-07-09 | — | — | CN | claimed |
| CN-103848876-A | Nucleoside phosphamide prodrug as well as preparation method and application of nucleoside phosphamide prodrug | ANHUI BIOCHEM UNITED PHARMACEUTICAL CO LTD | 2014-06-11 | — | — | CN | claimed |
| CN-103702929-A | Carbon-silicon composite material, method for preparing same, and negative active material comprising same | LG CHEMICAL LTD | 2014-04-02 | — | — | CN | claimed |
| CN-101531681-A | High-purity minodronic acid and preparation method thereof | BEIJING D VENTURE PHARM TECH | 2009-09-16 | — | — | CN | claimed |
| CN-101391978-A | Novel synthetic method of HIV-1 protease inhibitor atazanavir | SHANGHAI INST MATERIA MEDICA (CN) | 2009-03-25 | — | — | CN | claimed |
| US-7309803-B2 | Clean, High-yield preparation of S,S and R,S amino acid isosteres | AEROJET FINE CHEMICALS LLC (US) | 2007-12-18 | — | — | US | claimed |
| CN-1246312-C | Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof | AVENTIS PHARMA INC (US) | 2006-03-22 | — | — | CN | claimed |
| CN-1694887-A | Single pot conversion of artemisinin into arteether | COUNCIL SCIENT IND RES (IN) | 2005-11-09 | — | — | CN | claimed |
| US-20050171170-A1 | Clean, high-yield preparation of S,S and R,S amino acid isosteres | AEROJET FINE CHEMICALS LLC, A DELAWARE LIMITED LIABILITY COMPANY (US) | 2005-08-04 | — | — | US | claimed |
| US-20030225292-A1 | Clean, high-yield preparation of S,S and R,S amino acid isosteres | AEROJET FINE CHEMICALS LLC, A DELAWARE LIMITED LIABILITY COMPANY | 2003-12-04 | — | — | US | claimed |
| US-6605732-B1 | Clean, high-yield preparation of S,S and R,S amino acid isosteres | AEROJET FINE CHEMICALS LLC | 2003-08-12 | — | — | US | claimed |
| CN-1308611-A | Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof | AVENTIS PHARMA INC (US) | 2001-08-15 | — | — | CN | claimed |
| EP-1050532-A2 | Preparation of S,S and R,S amino acid isosteres | Aerojet Fine Chemicals LLC (US) | 2000-11-08 | — | — | EP | claimed |