Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of P-Cresol. 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 | |
|---|---|---|---|---|
| P-Cresol SCHEMBL8157029 | 0.93 | ACHE (0.57) | — | |
| P-Cresol SCHEMBL6063969 | 0.93 | ACHE (0.57) | — | |
| P-Cresol SCHEMBL1229546 | 0.93 | ACHE (0.57) | — | |
| P-Cresol SCHEMBL10728842 | 0.93 | ACHE (0.57) | — | |
| P-Cresol SCHEMBL585475 | 0.93 | — | — | |
| P-Cresol SCHEMBL1229426 | 0.93 | ACHE (0.57) | — | |
| P-Cresol SCHEMBL1228560 | 0.93 | ACHE (0.57) | — | |
| P-Cresol SCHEMBL8423863 | 0.93 | ACHE (0.57) | — | |
| P-Cresol SCHEMBL585061 | 0.93 | — | — | |
| P-Cresol SCHEMBL6039896 | 0.90 | ACHE (0.53) | — |
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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040225153-A1 | Synthesis of polyphosphazenes with sulfonimide side groups | THE PENN STATE RESEARCH FOUNDATION | 2004-11-11 | — | — | US | claimed |
| WO-2004072141-A2 | SYNTHESIS OF POLYPHOSPHAZENES WITH SULFONIMIDE SIDE GROUPS | THE PENN STATE RESEARCH FOUNDATION (US) | 2004-08-26 | — | — | WO | claimed |
| US-9587060-B2 | Functionalized rubbery polymers | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2017-03-07 | — | — | US | disclosed |
| US-8119749-B2 | Method of taking (meth)acrylic ester polymer out of liquid reaction mixture | KURARAY CO., LTD. (JP) | 2012-02-21 | — | — | US | disclosed |
| EP-1916262-B1 | METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE | KURARAY CO (JP) | 2012-02-15 | — | — | EP | disclosed |
| EP-1945705-B1 | PHOTOLATENT SYSTEMS | BASF SE (DE) | 2011-10-19 | — | — | EP | disclosed |
| US-7973117-B2 | Milder temperatures, higher speed; controlled molecular weight and narrow distribution thermoplastic elastomers | KURARAY CO., LTD. (JP) | 2011-07-05 | — | — | US | disclosed |
| US-7820865-B2 | Photolatent systems | CIBA CORPORATION (US) | 2010-10-26 | — | — | US | disclosed |
| US-7763702-B2 | Prepared by reacting a polyphosphonitrile with an amine or an alkali metal salt of an alcohol and an a perfluoroalkylsulfonylaminosulfonyl-substituted aniline or phenol salt; fuel cell membran materials | THE PENN STATE RESEARCH FOUNDATION (US) | 2010-07-27 | — | — | US | disclosed |
| US-7714089-B2 | Functionalized monomers and functionalized rubbery polymers made therewith | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2010-05-11 | — | — | US | disclosed |
| US-20090162307-A1 | Photolatent Systems | CIBA CORP. | 2009-06-25 | — | — | US | disclosed |
| US-20040044157-A1 | Functionalized monomers for synthesis of rubbery polymers | GOODYEAR TIRE & RUBBER COMPANY, THE | 2004-03-04 | — | — | US | disclosed |
| US-5489613-A | TREATING THROMBOSIS | SANKYO COMPANY, LIMITED (JP) | 1996-02-06 | — | — | US | disclosed |
| US-5405870-A | Platelet-aggregation inhibitors; useful in treatment of thrombosis | SANKYO COMPANY, LIMITED (JP) | 1995-04-11 | — | — | US | disclosed |
| EP-0136779-B1 | NEW CARBACYCLIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM | SANKYO COMPANY LIMITED (JP) | 1988-09-14 | — | — | EP | disclosed |
| EP-0136779-A1 | New carbacyclin derivatives, processes for their preparation and compositions containing them | SANKYO COMPANY LIMITED (JP) | 1985-04-10 | — | — | EP | disclosed |
| EP-0005145-B1 | PROCESS FOR PREPARING 5-(2-BROMOETHYLIDENE)-2(3H)-4A-METHYL-4,4A,5,6,7,8-HEXAHYDRONAPHTHALENE-2-ONE AND 5-ETHENYL-2(3H)-4A-METHYL-4,4A,7,8-TETRAHYDRONAPHTHALENE-2-ONE THEREFROM BY DEHYDROBROMINATION | STERLING DRUG INC. (US) | 1981-12-30 | — | — | EP | disclosed |
| EP-0005145-A1 | Process for preparing 5-(2-bromoethylidene)-2(3H)-4a-methyl-4,4a,5,6,7,8-hexahydronaphthalene-2-one and 5-ethenyl-2(3H)-4a-methyl-4,4a,7,8-tetrahydronaphthalene-2-one therefrom by dehydrobromination | STERLING DRUG INC. (US) | 1979-11-14 | — | — | EP | disclosed |
| US-4172142-A | DIURETICS FOR TREATMENT OF EDEMA | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-10-23 | — | — | US | disclosed |
| US-4157349-A | STEROIDS | STERLING DRUG INC. (US) | 1979-06-05 | — | — | US | disclosed |