⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3649225 | 0.85 | — | — | |
| SCHEMBL27814861 | 0.78 | — | — | |
| SCHEMBL11179900 | 0.78 | — | — | |
| SCHEMBL250258 | 0.76 | — | — | |
| SCHEMBL18107313 | 0.76 | DNM1 (0.45) | — | |
| SCHEMBL11030873 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL3099299 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL6038397 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL6055954 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL7454365 | 0.74 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0877024-B1 | SUBSTITUTED 6-H-1,3,4-THIADIAZINE-2-AMINES, THE USE THEREOF AS AN AESTHETISING, CARDIOVASCULAR AND HYPOMETABOLIC AGENTS, AND A PHARMACEUTICAL COMPOSITION CONTAINING THEM | N T PREDPR LIGAND OBSCHESTVO S (RU) | 2002-02-20 | — | — | EP | disclosed |
| WO-2000073288-A1 | METHOD FOR PREPARING 5-SUBSTITUTED OXAZOLES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2000-12-07 | — | — | WO | disclosed |
| EP-0877024-A1 | SUBSTITUTED 6-H-1,3,4-THIADIAZINE-2-AMINES, THE USE THEREOF AS AN AESTHETISING, CARDIOVASCULAR AND HYPOMETABOLIC AGENTS, AND A PHARMACEUTICAL COMPOSITION CONTAINING THEM | THE PROCTER & GAMBLE COMPANY (US) | 1998-11-11 | — | — | EP | disclosed |
| US-5523495-A | REACTING KETONE OR ALDEHYDE WITH A DIHALOPROPENE IN PRESENCE OF ZINC POWDER, WATER AND ACID YIELDS A HALOALLYLCARBINOL WHICH CAN BE DEHALOGENATED WITH A BASE, NONEXPLOSIVE | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1996-06-04 | — | — | US | disclosed |
| EP-0404077-B1 | Process for producing propargylcarbinol compounds | SUMITOMO CHEMICAL CO (JP) | 1994-06-01 | — | — | EP | disclosed |
| US-5258529-A | Dehydrohalogenation of corresponding alkene | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-11-02 | — | — | US | disclosed |
| EP-0519449-A1 | 2-Amino-4-aryl thiazoles with antiasthmatic and antiinflammatory activities on the respiratory tract | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1992-12-23 | — | — | EP | disclosed |
| EP-0404077-A1 | Process for producing propargylcarbinol compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-12-27 | — | — | EP | disclosed |