⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL1472674 | 0.90 | — | — | |
| Butane SCHEMBL9060189 | 0.90 | — | — | |
| Butane SCHEMBL1774672 | 0.90 | — | — | |
| Butane SCHEMBL6707474 | 0.78 | — | — | |
| Propanol SCHEMBL1922330 | 0.73 | — | — | |
| Pentane SCHEMBL28529129 | 0.73 | TSHR (0.58) | — | |
| Pentane SCHEMBL28529130 | 0.73 | — | — | |
| Butane SCHEMBL332007 | 0.72 | — | — | |
| Butane SCHEMBL9292387 | 0.71 | TSHR (0.50) | — | |
| Butane SCHEMBL3593 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003041137-A1 | METHOD OF MANUFACTURING AN InGaNAs COMPOUND SEMICONDUCTOR THIN FILM AND THE THIN FILM MANUFACTURED BY THE SAME | VICHEL INC. (KR) | 2003-05-15 | — | — | WO | disclosed |