⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8077291 | 1.00 | — | — | |
| SCHEMBL10907223 | 1.00 | — | — | |
| SCHEMBL8985584 | 0.78 | CYP3A4 (0.40) | — | |
| SCHEMBL6699206 | 0.77 | TDP1 (0.35) | — | |
| SCHEMBL4923482 | 0.74 | — | — | |
| SCHEMBL576341 | 0.74 | — | — | |
| SCHEMBL576342 | 0.74 | — | — | |
| SCHEMBL9814899 | 0.72 | — | — | |
| SCHEMBL11346090 | 0.72 | — | — | |
| SCHEMBL551890 | 0.72 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1124257-C | 2-chloro-2-methyl-3-crotonization and 2-chloro-2-methyl-3-alkyl butenate | HOFFMANN LA ROCHE (CH) | 2003-10-15 | — | — | CN | disclosed |
| CN-1080266-C | Preparation of Wittig ester salts | HOFFMANN LA ROCHE (CH) | 2002-03-06 | — | — | CN | disclosed |
| CN-1269356-A | 2-chloro-2-methyl-3-crotonization and 2-chloro-2-methyl-3-alkyl butenate | HOFFMANN LA ROCHE (CH) | 2000-10-11 | — | — | CN | disclosed |
| EP-0673945-B1 | Preparation of an ester salt of wittig | HOFFMANN LA ROCHE (CH) | 2000-09-06 | — | — | EP | disclosed |
| US-5777149-A | Method for the production of (3-alkoxycarbonyl-2-butenyl) triphenylphosphonium salts | ROCHE VITAMINS INC. (US) | 1998-07-07 | — | — | US | disclosed |
| US-5681977-A | Method for the production of (3-alkoxycarbonyl-2-butenyl) triphenylphosphonium salts | ROCHE VITAMINS INC. (US) | 1997-10-28 | — | — | US | disclosed |
| US-5631398-A | Method for the production of (3-alkoxycarbonyl-2-butenyl) triphenylphosphonium salts | ROCHE VITAMINS INC. (US) | 1997-05-20 | — | — | US | disclosed |
| US-5502236-A | Method for the production of (3-alkoxycarbonyl-2-butenyl)triphenylphosphonium salts | HOFFMANN-LA ROCHE INC. (US) | 1996-03-26 | — | — | US | disclosed |
| CN-1115762-A | Preparation of Wittig ester salts | HOFFMANN LA ROCHE (CH) | 1996-01-31 | — | — | CN | disclosed |
| EP-0673945-A1 | Preparation of an ester salt of wittig | F. HOFFMANN-LA ROCHE AG (CH) | 1995-09-27 | — | — | EP | disclosed |
| EP-0110219-B1 | HETEROCYCLIC SUBSTITUTED NITRILES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS | BASF Aktiengesellschaft (DE) | 1986-06-11 | — | — | EP | disclosed |
| US-4563474-A | PSYCHOLOGICAL DISORDERS | BASF AKTIENGESELLSCHAFT (DE) | 1986-01-07 | — | — | US | disclosed |
| EP-0110219-A1 | Heterocyclic substituted nitriles, their production and their use as medicaments | BASF Aktiengesellschaft (DE) | 1984-06-13 | — | — | EP | disclosed |