⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10802499 | 0.84 | — | — | |
| SCHEMBL10796670 | 0.81 | — | — | |
| SCHEMBL20167 | 0.80 | — | — | |
| Propane SCHEMBL28985954 | 0.77 | — | — | |
| SCHEMBL23581505 | 0.76 | — | — | |
| SCHEMBL7203124 | 0.76 | — | — | |
| SCHEMBL8857773 | 0.76 | — | — | |
| Methane SCHEMBL28985953 | 0.76 | — | — | |
| Hydrogen Sulfide SCHEMBL7727157 | 0.76 | — | — | |
| Water SCHEMBL2127288 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0159167-B1 | OINTMENT BASE | Takeda Chemical Industries, Ltd. (JP) | 1991-07-17 | — | — | EP | disclosed |
| US-4952560-A | USING MIXTURE WITH WATER-SOLUBLE PROTEINS, MONOHYDRIC ALCOHOLS AND ALKYLENE GLYCOL WETTING AGENTS FOR TRANSDERMAL DRUG DELIVERY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-08-28 | — | — | US | disclosed |
| US-4695465-A | ADMINISTERING DRUGS, ABSORPTION | TAKEDA CHEMICAL INDUSTRY, LTD. (JP) | 1987-09-22 | — | — | US | disclosed |
| EP-0159168-A2 | Soft patch drug preparation | Takeda Chemical Industries, Ltd. (JP) | 1985-10-23 | — | — | EP | disclosed |
| EP-0159167-A2 | Ointment base | Takeda Chemical Industries, Ltd. (JP) | 1985-10-23 | — | — | EP | disclosed |