⚠ 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 SCHEMBL3628777 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL20503401 | 0.82 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL788666 | 0.82 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL282 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL8713916 | 0.78 | — | — | |
| Tert-Butanol SCHEMBL25297067 | 0.76 | ALDH1A1 (0.42) | — | |
| Tert-Butanol SCHEMBL183182 | 0.76 | — | — | |
| Tert-Butanol SCHEMBL8915084 | 0.76 | ALDH1A1 (0.42) | — | |
| Tert-Butanol SCHEMBL21268474 | 0.76 | — | — | |
| Tert-Butanol SCHEMBL1794621 | 0.76 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1307449-B1 | 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS | PFIZER PHARMA (JP) | 2005-12-07 | — | — | EP | disclosed |
| EP-1106614-B1 | 5-Membered heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists | PFIZER (US) | 2004-01-07 | — | — | EP | disclosed |
| US-6653313-B2 | For treatment and prevention of inflammation, asthma, allergic rhinitis, pain and other disorders | WARNER-LAMBERT COMPANY LLC | 2003-11-25 | — | — | US | disclosed |
| US-6649767-B2 | Contacting an enamine compound with a ketonic compound in presence of a base, treating the reaction mixture thus obtained with an acid or combinations of acids | PFIZER, INC. | 2003-11-18 | — | — | US | disclosed |
| US-20030176445-A1 | Substituted 1,4-dihydropyridine compounds as bradykinin antagonists | PFIZER INC. | 2003-09-18 | — | — | US | disclosed |
| US-20030078430-A1 | Process for preparing 1,4-dihydropyridine compounds | PFIZER INC. | 2003-04-24 | — | — | US | disclosed |
| EP-1106615-B1 | Substituted 1,4-dihydropyridine compounds as bradykinin antagonists | PFIZER (US) | 2003-03-05 | — | — | EP | disclosed |
| US-20020161006-A1 | 1,4-dihydropyridine compounds as bradykinin antagonists | KAWAMURA MITSUHIRO (US) | 2002-10-31 | — | — | US | disclosed |
| US-6444677-B2 | TREATMENT OF INFLAMMATION, CARDIOVASCULAR DISEASE, PAIN, ETC. | PFIZER INC. | 2002-09-03 | — | — | US | disclosed |
| US-20020042421-A1 | Substituted 1,4-dihydropyridine compounds as bradykinin antagonists | OKUMURA YOSHIYUKI (JP) | 2002-04-11 | — | — | US | disclosed |
| US-20010046993-A1 | 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists | IKEDA TAKAFUMI (JP) | 2001-11-29 | — | — | US | disclosed |
| EP-1110962-A1 | Process for preparing 1,4-dihydropyridine compounds | PFIZER INC. (US) | 2001-06-27 | — | — | EP | disclosed |
| EP-1106614-A1 | 5-Membered heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists | PFIZER INC. (US) | 2001-06-13 | — | — | EP | disclosed |
| EP-1106615-A1 | Substituted 1,4-dihydropyridine compounds as bradykinin antagonists | PFIZER INC. (US) | 2001-06-13 | — | — | EP | disclosed |
| EP-0612764-B1 | Process for preparing polyolefins | NIPPON OIL CO LTD (JP) | 1998-08-12 | — | — | EP | disclosed |
| EP-0669346-B1 | Solid catalyst components for olefin polymerization and use thereof | NIPPON OIL CO LTD (JP) | 1998-06-03 | — | — | EP | disclosed |
| US-5604170-A | EFFECTIVE CATALYST SUPPORT SATISFYING CERTAIN REQUISITES: PARTICLE DIAMETER, SPECIFIC SURFACE AREA, PORE VOLUME, SPECIFIC GRAVITY; SUBJECTED TO ULTRASONIC DISINTEGRATION | NIPPON OIL COMPANY, LIMITED (JP) | 1997-02-18 | — | — | US | disclosed |
| EP-0669346-A1 | Solid catalyst components for olefin polymerization and use thereof | NIPPON OIL CO. LTD. (JP) | 1995-08-30 | — | — | EP | disclosed |
| US-5432236-A | Process for preparing polyolefins | NIPPON OIL COMPANY, LIMITED (JP) | 1995-07-11 | — | — | US | disclosed |
| EP-0612764-A1 | Process for preparing polyolefins | NIPPON OIL CO. LTD. (JP) | 1994-08-31 | — | — | EP | disclosed |