⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL33704 | 0.85 | HTT (0.49) | — | |
| Ethylene SCHEMBL8740481 | 0.83 | HTT (0.47) | — | |
| SCHEMBL9482955 | 0.81 | — | — | |
| SCHEMBL27486544 | 0.81 | HTT (0.54) | — | |
| SCHEMBL5697728 | 0.81 | HTT (0.59) | — | |
| SCHEMBL7226186 | 0.79 | — | — | |
| SCHEMBL9875194 | 0.79 | — | — | |
| SCHEMBL16116555 | 0.79 | HTT (0.45) | — | |
| Vinyl Chloride SCHEMBL11178409 | 0.79 | HTT (0.45) | — | |
| SCHEMBL12192531 | 0.79 | HTT (0.62) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4133813-A | Cyclic nitrile carbonate-containing compounds | ATLANTIC RICHFIELD COMPANY (US) | 1979-01-09 | — | — | US | disclosed |
| US-4008293-A | ACRYLIC COPOLYMER, AMINOPLAST, BINDER | PPG INDUSTRIES, INC. (US) | 1977-02-15 | — | — | US | disclosed |