⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9160985 | 0.81 | — | — | |
| SCHEMBL8731604 | 0.80 | — | — | |
| SCHEMBL2207962 | 0.78 | — | — | |
| SCHEMBL8721657 | 0.78 | — | — | |
| SCHEMBL2057916 | 0.72 | — | — | |
| SCHEMBL21813 | 0.72 | — | — | |
| SCHEMBL7510224 | 0.72 | — | — | |
| SCHEMBL23464977 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL23464978 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL726552 | 0.71 | ALDH1A1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5130345-A | Forming a polyurethane or polyisocyanurate and foaming with a fluorine containing alkanes | ALLIED-SIGNAL INC. (US) | 1992-07-14 | — | — | US | claimed |
| WO-1992000345-A1 | METHOD OF PREPARING FOAM USING A PARTIALLY FLUORINATED ALKANE | ALLIED-SIGNAL INC. (US) | 1992-01-09 | — | — | WO | claimed |
| US-5130345-A | Forming a polyurethane or polyisocyanurate and foaming with a fluorine containing alkanes | ALLIED-SIGNAL INC. (US) | 1992-07-14 | — | — | US | disclosed |
| WO-1992000345-A1 | METHOD OF PREPARING FOAM USING A PARTIALLY FLUORINATED ALKANE | ALLIED-SIGNAL INC. (US) | 1992-01-09 | — | — | WO | disclosed |