⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL453672 | 1.00 | — | — | |
| SCHEMBL103467 | 1.00 | — | — | |
| SCHEMBL11220605 | 0.97 | TSHR (0.40) | — | |
| SCHEMBL9652371 | 0.97 | TSHR (0.40) | — | |
| SCHEMBL9652378 | 0.97 | TSHR (0.40) | — | |
| SCHEMBL16369800 | 0.91 | FAAH (0.42) | — | |
| SCHEMBL22344818 | 0.91 | FAAH (0.42) | — | |
| SCHEMBL22553028 | 0.91 | TRPV1 (0.38) | — | |
| SCHEMBL22553027 | 0.91 | TRPV1 (0.38) | — | |
| SCHEMBL19973785 | 0.91 | TRPV1 (0.38) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1098854-C | Imidazothiazoles | ROLIC AG (CH) | 2003-01-15 | — | — | CN | disclosed |
| US-6022493-A | SELECTING LIQUID CRYSTALLINE COMPOUNDS COMPOSING OF ACYCLIC HYDROCARBONS, MIXING COMPOUNDS | CHISSO CORPORATION (JP) | 2000-02-08 | — | — | US | disclosed |
| US-5851425-A | Imidazothiazoles | ROLIC AG (CH) | 1998-12-22 | — | — | US | disclosed |
| EP-0832954-A1 | LIQUID-CRYSTAL COMPOSITION FOR LIQUID-CRYSTAL DISPLAY ELEMENTS AND PROCESS FOR PRODUCING THE COMPOSITION | CHISSO CORPORATION (JP) | 1998-04-01 | — | — | EP | disclosed |
| EP-0419330-B1 | Method for the preparation of an alkynyl compound | SHINETSU CHEMICAL CO (JP) | 1994-06-01 | — | — | EP | disclosed |
| US-5082961-A | METHOD FOR THE PREPARATION OF AN ALKYNYL COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1992-01-21 | — | — | US | disclosed |
| EP-0419330-A2 | Method for the preparation of an alkynyl compound | Shin-Etsu Chemical Co., Ltd. (JP) | 1991-03-27 | — | — | EP | disclosed |