⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11800150 | 0.76 | — | — | |
| SCHEMBL11796069 | 0.76 | — | — | |
| SCHEMBL28441386 | 0.73 | — | — | |
| SCHEMBL11793249 | 0.73 | — | — | |
| SCHEMBL11881870 | 0.73 | — | — | |
| SCHEMBL3123282 | 0.73 | — | — | |
| SCHEMBL11882022 | 0.73 | — | — | |
| SCHEMBL1897021 | 0.72 | — | — | |
| SCHEMBL9720748 | 0.71 | — | — | |
| SCHEMBL9328111 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8071826-B2 | Process for the preparation of 2,3,3,3-tetrafluoropropene (HFO-1234yf) | HONEYWELL INTERNATIONAL INC. (US) | 2011-12-06 | — | — | US | disclosed |
| US-20090253946-A1 | PROCESS FOR THE PREPARATION OF 2,3,3,3-TETRAFLUOROPROPENE (HFO-1234yf) | SOLSTICE ADVANCED MATERIALS US, INC. | 2009-10-08 | — | — | US | disclosed |
| US-3903181-A | 1-Bromo-2,2-difluorocyclopropane | W. R. GRACE & CO.-CONN. | 1975-09-02 | — | — | US | disclosed |