⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9018582 | 1.00 | — | — | |
| SCHEMBL15057770 | 0.76 | — | — | |
| SCHEMBL11170359 | 0.74 | — | — | |
| SCHEMBL8845154 | 0.72 | — | — | |
| SCHEMBL11817779 | 0.70 | — | — | |
| SCHEMBL11818527 | 0.70 | GRM8 (0.35) | — | |
| SCHEMBL9018584 | 0.70 | GRM4 (0.41) | — | |
| SCHEMBL230310 | 0.69 | — | — | |
| SCHEMBL3675536 | 0.67 | MAPK1 (0.33) | — | |
| SCHEMBL20092111 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100130768-A1 | METHOD FOR HYDRODEHALOGENATION OF ORGANIC HALOGEN COMPOUND | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2010-05-27 | — | — | US | disclosed |
| EP-1942087-A1 | METHOD FOR DEHYDROHALOGENATION OF ORGANIC HALOGEN COMPOUND | Daiichi Sankyo Company, Limited (JP) | 2008-07-09 | — | — | EP | disclosed |
| EP-0712831-B1 | SELECTIVE DEHALOGENATION METHOD | DAIICHI SEIYAKU CO (JP) | 1999-11-03 | — | — | EP | disclosed |
| US-5780669-A | Selective dehalogenation process | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1998-07-14 | — | — | US | disclosed |
| EP-0726245-A1 | Process for the preparation of derivatives of fluorocyclopropan | BAYER AG (DE) | 1996-08-14 | — | — | EP | disclosed |
| EP-0712831-A1 | SELECTIVE DEHALOGENATION METHOD | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1996-05-22 | — | — | EP | disclosed |