Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of T-Butylacetic Acid. 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 | |
|---|---|---|---|---|
| T-Butylacetic Acid SCHEMBL18258678 | 0.94 | CA4 (0.43) | — | |
| T-Butylacetic Acid SCHEMBL11218671 | 0.94 | — | — | |
| T-Butylacetic Acid SCHEMBL973429 | 0.94 | — | — | |
| T-Butylacetic Acid SCHEMBL6500330 | 0.94 | — | — | |
| T-Butylacetic Acid SCHEMBL3159252 | 0.91 | CA4 (0.42) | — | |
| T-Butylacetic Acid SCHEMBL6098037 | 0.91 | CA4 (0.42) | — | |
| T-Butylacetic Acid SCHEMBL28494927 | 0.88 | CA4 (0.40) | — | |
| T-Butylacetic Acid SCHEMBL7859363 | 0.88 | CA4 (0.40) | — | |
| T-Butylacetic Acid SCHEMBL6567111 | 0.84 | CA4 (0.42) | — | |
| T-Butylacetic Acid SCHEMBL6564741 | 0.82 | CA4 (0.41) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11248081-B2 | Hydrocarbon blown polyurethane foam formulation giving desirable thermal insulation properties | HUNTSMAN PETROCHEMICAL LLC (US) | 2022-02-15 | — | — | US | claimed |
| EP-3144332-B1 | NEW TRIMER CATALYST ADDITIVES FOR IMPROVING FOAM PROCESSABILITY | EVONIK OPERATIONS GMBH (DE) | 2020-10-21 | — | — | EP | claimed |
| US-10428170-B1 | Hydrocarbon blown polyurethane foam formulation giving desirable thermal insulation properties | HUNTSMAN INTERNATIONAL LLC (US) | 2019-10-01 | — | — | US | claimed |
| US-9878318-B2 | Trimer catalyst additives for improving foam processability | EVONIK DEGUSSA GMBH (DE) | 2018-01-30 | — | — | US | claimed |
| EP-3144332-A1 | NEW TRIMER CATALYST ADDITIVES FOR IMPROVING FOAM PROCESSABILITY | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2017-03-22 | — | — | EP | claimed |
| US-20140005037-A1 | TRIMER CATALYST ADDITIVES FOR IMPROVING FOAM PROCESSABILITY | EVONIK OPERATIONS GMBH (DE) | 2014-01-02 | — | — | US | claimed |
| US-20070259773-A1 | Trimer catalyst additives for improving foam processability | EVONIK OPERATIONS GMBH (DE) | 2007-11-08 | — | — | US | claimed |
| EP-1852450-A2 | New trimer catalyst additives for improving foam processability | Air Products and Chemicals, Inc. (US) | 2007-11-07 | — | — | EP | claimed |
| US-11248081-B2 | Hydrocarbon blown polyurethane foam formulation giving desirable thermal insulation properties | HUNTSMAN PETROCHEMICAL LLC (US) | 2022-02-15 | — | — | US | disclosed |
| EP-3144332-B1 | NEW TRIMER CATALYST ADDITIVES FOR IMPROVING FOAM PROCESSABILITY | EVONIK OPERATIONS GMBH (DE) | 2020-10-21 | — | — | EP | disclosed |
| US-10428170-B1 | Hydrocarbon blown polyurethane foam formulation giving desirable thermal insulation properties | HUNTSMAN INTERNATIONAL LLC (US) | 2019-10-01 | — | — | US | disclosed |
| US-9878318-B2 | Trimer catalyst additives for improving foam processability | EVONIK DEGUSSA GMBH (DE) | 2018-01-30 | — | — | US | disclosed |
| EP-3144332-A1 | NEW TRIMER CATALYST ADDITIVES FOR IMPROVING FOAM PROCESSABILITY | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2017-03-22 | — | — | EP | disclosed |
| US-20140005037-A1 | TRIMER CATALYST ADDITIVES FOR IMPROVING FOAM PROCESSABILITY | EVONIK OPERATIONS GMBH (DE) | 2014-01-02 | — | — | US | disclosed |
| US-8198379-B2 | Halobutyl elastomers | LANXESS INC. (CA) | 2012-06-12 | — | — | US | disclosed |
| US-20090203850-A1 | HALOBUTYL ELASTOMERS | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2009-08-13 | — | — | US | disclosed |
| EP-1913077-A1 | HALOBUTYL ELASTOMERS | Lanxess Inc. (CA) | 2008-04-23 | — | — | EP | disclosed |
| US-20070259773-A1 | Trimer catalyst additives for improving foam processability | EVONIK OPERATIONS GMBH (DE) | 2007-11-08 | — | — | US | disclosed |
| EP-1852450-A2 | New trimer catalyst additives for improving foam processability | Air Products and Chemicals, Inc. (US) | 2007-11-07 | — | — | EP | disclosed |
| WO-2007016770-A1 | HALOBUTYL ELASTOMERS | LANXESS INC. (CA) | 2007-02-15 | — | — | WO | disclosed |