⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1146601 | 1.00 | — | — | |
| SCHEMBL5367991 | 0.77 | — | — | |
| SCHEMBL2346382 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL23064899 | 0.74 | TRPA1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL28890339 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL23064896 | 0.74 | TRPA1 (0.46) | — | |
| SCHEMBL27482001 | 0.74 | — | — | |
| SCHEMBL459323 | 0.73 | — | — | |
| SCHEMBL459324 | 0.73 | — | — | |
| SCHEMBL3505023 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8758501-B2 | Nanoparticulate UV protectant with silicon dioxide coating | MERCK PATENT GMBH (DE) | 2014-06-24 | — | — | US | disclosed |
| US-8293784-B2 | α-amino acid derivatives for improving solubility | MERCK PATENT GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| US-20110039924-A1 | ALPHA-AMINO ACID DERIVATIVES FOR IMPROVING SOLUBILITY | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2011-02-17 | — | — | US | disclosed |
| US-20100093984-A1 | EXTRACTION METHOD | WIRTH CORINNA | 2010-04-15 | — | — | US | disclosed |
| US-20090220441-A1 | Nanoparticulate UV Protectant With Silicon Dioxide Coating | PFLUECKER FRANK | 2009-09-03 | — | — | US | disclosed |
| US-20090035238-A1 | UV FILTER CAPSULE CONTAINING AN AMINO-SUBSTITUTED HYDROXYBENZOPHENONE | MERCK PATENT GMBH (DE) | 2009-02-05 | — | — | US | disclosed |
| US-20080193569-A1 | Extraction Method for Producing Plant Extracts, Especially Waltheria Paniculata Extracts Containing Tiliroside | MERCK PATENT GESELLSCHAFT (DE) | 2008-08-14 | — | — | US | disclosed |
| US-20040077609-A1 | Oral composition containing NSAIDs and essential oils | MCNEIL-PPC, INC | 2004-04-22 | — | — | US | disclosed |
| US-20020137724-A1 | Oral composition containing NSAIDs and essential oils | RUBIN MICHAEL (US) | 2002-09-26 | — | — | US | disclosed |
| EP-0314617-A1 | Consistent chew texture gum composition | WARNER-LAMBERT COMPANY (US) | 1989-05-03 | — | — | EP | disclosed |
| EP-0306454-A2 | Tablets having improved bioadhesion to mucous membranes | WARNER-LAMBERT COMPANY (US) | 1989-03-08 | — | — | EP | disclosed |
| EP-0298038-A1 | Heterogeneous chewing gum composition and method of preparation | WARNER-LAMBERT COMPANY (US) | 1989-01-04 | — | — | EP | disclosed |
| EP-0077639-A1 | Flavouring composition and process for producing that composition | WARNER-LAMBERT COMPANY (US) | 1983-04-27 | — | — | EP | disclosed |