⚠ 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 SCHEMBL788666 | 0.82 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL3628777 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL20503401 | 0.82 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL282 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL11651290 | 0.78 | THRB (0.58) | — | |
| Tert-Butanol SCHEMBL28599085 | 0.78 | — | — | |
| Tert-Butanol SCHEMBL9551992 | 0.78 | TSHR (0.67) | — | |
| Tert-Butanol SCHEMBL6152871 | 0.78 | — | — | |
| Tert-Butanol SCHEMBL25297067 | 0.76 | ALDH1A1 (0.42) | — | |
| Tert-Butanol SCHEMBL21268474 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0599485-B1 | Method of inhibiting corrosion in aqueous systems | BETZ EUROP INC (US) | 1996-06-26 | — | — | EP | claimed |
| WO-2012096404-A1 | SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-07-19 | — | — | WO | 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 |
| US-5494982-A | TWO STEP POLYMERIZATION IN PRESENCE OF CATALYST OBTAINED FROM SOLID CATALYST CONTAINING MAGNESIUM, TITANIUM, ZIRCONIUM AND HALOGEN, ORGANOALUMINUM COMPOUND | IDEMITSU PETROCHEMICAL COMPANY, LIMITED (JP) | 1996-02-27 | — | — | 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 |
| EP-0398350-A2 | Process for preparing ethylenic polymer compositions | IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) | 1990-11-22 | — | — | EP | disclosed |