Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Tert-Butanol. 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 | |
|---|---|---|---|---|
| Tert-Butanol SCHEMBL11063002 | 0.95 | — | — | |
| Tert-Butanol SCHEMBL5867448 | 0.95 | — | — | |
| Tert-Butanol SCHEMBL11259725 | 0.95 | TSHR (0.55) | — | |
| Alcohol SCHEMBL15880913 | 0.86 | TSHR (0.55) | — | |
| Alcohol SCHEMBL595983 | 0.86 | TSHR (0.55) | — | |
| Tert-Butanol SCHEMBL10441371 | 0.84 | ALDH1A1 (0.43) | — | |
| Tert-Butanol SCHEMBL5867069 | 0.84 | TSHR (0.43) | — | |
| Tert-Butanol SCHEMBL27940828 | 0.84 | — | — | |
| Alcohol SCHEMBL27658536 | 0.84 | — | — | |
| Alcohol SCHEMBL23162490 | 0.82 | — | — |
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 216 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114624469-A | Method for evaluating dentin-resin bonding interface defects | 中国人民解放军空军军医大学 | 2022-06-14 | — | — | CN | claimed |
| US-10869848-B2 | Carmustine pharmaceutical composition | NAVINTA III INC (US) | 2020-12-22 | — | — | US | claimed |
| US-20190269632-A1 | Carmustine Pharmaceutical Composition | NAVINTA II LLC | 2019-09-05 | — | — | US | claimed |
| CN-109738249-A | A kind of production method of paraffin section that observing Process of Flower Bud Differentiation | 山西省农业科学院园艺研究所 | 2019-05-10 | — | — | CN | claimed |
| EP-2606020-B1 | METHOD OF SYNTHESIS OF SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL | DEL MAR PHARMACEUTICALS (CA) | 2018-12-26 | — | — | EP | claimed |
| CN-102764233-A | Liposome injection of 3-amino-6-aryl-thieno[2,3-b]pyridine-2-methanamide derivatives and preparation technology thereof | UNIV SICHUAN | 2012-11-07 | — | — | CN | claimed |
| US-20120071659-A1 | Process for the Preparation of Sufentanil Base and Related Compounds | MALLINCKRODT LLC (US) | 2012-03-22 | — | — | US | claimed |
| CN-102271659-A | Irinotecan or irinotecan hydrochloride liposome and preparation method thereof | — | 2011-12-07 | — | — | CN | claimed |
| EP-2215046-B1 | PROCESS FOR PREPARING A PRIMARY AMINE WITH A TERTIARY ALPHA CARBON ATOM BY REACTING A TERTIARY ALCOHOL WITH AMMONIA | BASF SE (DE) | 2011-08-17 | — | — | EP | claimed |
| CN-101897667-A | Doxorubicin hydrochloride liposome injection and preparation technology thereof | ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUANG CO LTD | 2010-12-01 | — | — | CN | claimed |
| WO-1998008924-A2 | CONCENTRATED PREMIX WITH REDUCED FLAMMABILITY FOR FORMING FABRIC SOFTENING COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 1998-03-05 | — | — | WO | claimed |
| EP-0766825-A1 | PREPARATION OF DERIVATIZED 10,10'-SUBSTITUTED-9,9'-BIACRIDINE LUMINESCENT MOLECULES AND SIGNAL SOLUTIONS | Katsilometes, George, W. (US) | 1997-04-09 | — | — | EP | claimed |
| WO-1996000392-A1 | PREPARATION OF DERIVATIZED 10,10'-SUBSTITUTED-9,9'-BIACRIDINE LUMINESCENT MOLECULES AND SIGNAL SOLUTIONS | KATSILOMETES GEORGE W (US) | 1996-01-04 | — | — | WO | claimed |
| US-5344860-A | Stabilizers | CIBA-GEIGY CORPORATION (US) | 1994-09-06 | — | — | US | claimed |
| US-4967772-A | LOCALIZATION OF NITROSOAMINES AND METABOLITES | C.A. BLOCKERS, INC. (US) | 1990-11-06 | — | — | US | claimed |
| US-4954660-A | Converted to secondary alcohols by treatment with methanol and a tertiary alcohol using an acidic catalyst | ENICHEM ANIC S.P.A. (IT) | 1990-09-04 | — | — | US | claimed |
| US-4792540-A | POLYMERIZATION CATALYST FORMED FROM ALKALI METAL ALCOHOLATE AND LACTAM WITH HIGHER ALCOHOL | STAMICARBON B.V. (NL) | 1988-12-20 | — | — | US | claimed |
| US-4732653-A | BENZOATE ESTER EXTRACTANTS | BERG LLOYD (US) | 1988-03-22 | — | — | US | claimed |
| EP-0238143-A1 | Process for preparing an alkali metal lactamate | STAMICARBON B.V. (NL) | 1987-09-23 | — | — | EP | claimed |
| EP-0031991-B1 | METHOD OF PREPARING PROPANE SULFONATES | MOBIL OIL CORPORATION (US) | 1983-07-20 | — | — | EP | claimed |