⚠ 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 SCHEMBL11580669 | 0.81 | ALDH1A1 (0.36) | — | |
| Butane SCHEMBL4150351 | 0.78 | HSD17B10 (0.31) | — | |
| Butane SCHEMBL9737574 | 0.76 | CA1 (0.33) | — | |
| SCHEMBL9621808 | 0.76 | ALDH1A1 (0.39) | — | |
| Butane SCHEMBL11583074 | 0.76 | CHRM1 (0.34) | — | |
| SCHEMBL10980576 | 0.71 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL7603747 | 0.71 | TSHR (0.41) | — | |
| Butane SCHEMBL11763800 | 0.68 | NPSR1 (0.40) | — | |
| SCHEMBL134917 | 0.67 | — | — | |
| Butane SCHEMBL11429688 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4086208-A | Flame resistant polyesters | TOYO BOSEKI KABUSHIKI KAISHA (JA) | 1978-04-25 | — | — | US | disclosed |