⚠ 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 | |
|---|---|---|---|---|
| Pentane SCHEMBL29014558 | 1.00 | — | — | |
| Pentane SCHEMBL1728222 | 1.00 | — | — | |
| Pentane SCHEMBL29014559 | 0.94 | — | — | |
| Pentane SCHEMBL9633320 | 0.94 | TSHR (1.00) | — | |
| Pentane SCHEMBL9453163 | 0.94 | TSHR (1.00) | — | |
| Pentane SCHEMBL323650 | 0.94 | TSHR (1.00) | — | |
| Pentane SCHEMBL9633144 | 0.94 | TSHR (1.00) | — | |
| Pentane SCHEMBL1234 | 0.94 | — | — | |
| Pentane SCHEMBL9634178 | 0.94 | TSHR (1.00) | — | |
| Pentane SCHEMBL11048488 | 0.89 | TSHR (0.70) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090011254-A1 | RELEASE FILM AND METHOD OF PRODUCING SAME | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2009-01-08 | — | — | US | disclosed |