⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11832169 | 0.71 | — | — | |
| SCHEMBL8418547 | 0.55 | PIK3CD (0.34) | — | |
| SCHEMBL11161329 | 0.55 | — | — | |
| SCHEMBL33466 | 0.53 | MEN1 (0.37) | — | |
| SCHEMBL10278754 | 0.52 | ALDH1A1 (0.45) | — | |
| SCHEMBL11288962 | 0.52 | — | — | |
| SCHEMBL11478542 | 0.52 | L3MBTL1 (0.38) | — | |
| SCHEMBL12418938 | 0.51 | L3MBTL1 (0.56) | — | |
| Alcohol SCHEMBL28507915 | 0.50 | — | — | |
| Ethane SCHEMBL9809196 | 0.50 | — | — |
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-3992333-A | NITROGEN AND SULFUR CONTAINING COPOLYMER IS SELF-CROSSLINKING BINDER | ROHM AND HAAS COMPANY (US) | 1976-11-16 | — | — | US | disclosed |