⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1989349 | 0.79 | — | — | |
| SCHEMBL9643732 | 0.73 | — | — | |
| SCHEMBL8083473 | 0.73 | — | — | |
| SCHEMBL11780291 | 0.73 | — | — | |
| SCHEMBL17822138 | 0.72 | — | — | |
| SCHEMBL1134599 | 0.72 | — | — | |
| SCHEMBL820991 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL857073 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL1196494 | 0.67 | — | — | |
| SCHEMBL10655973 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6702929-B2 | Purification of 1,1,1,3,3-pentafluorobutane | HONEYWELL INTERNATIONAL INC. | 2004-03-09 | — | — | US | disclosed |
| US-20030111332-A1 | Purification of 1,1,1,3,3-pentafluorobutane | HONEYWELL INTERNATIONAL INC. | 2003-06-19 | — | — | US | disclosed |
| US-20020077513-A1 | Purification of 1,1,1,3,3-pentafluorobutane | HONEYWELL INTERNATIONAL INC. | 2002-06-20 | — | — | US | disclosed |