⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28410657 | 0.91 | — | — | |
| SCHEMBL28438156 | 0.91 | — | — | |
| SCHEMBL28407023 | 0.91 | — | — | |
| SCHEMBL7522797 | 0.89 | — | — | |
| SCHEMBL8208411 | 0.89 | — | — | |
| SCHEMBL27481340 | 0.89 | — | — | |
| SCHEMBL28179437 | 0.84 | — | — | |
| Water SCHEMBL23702713 | 0.80 | — | — | |
| SCHEMBL28607949 | 0.80 | — | — | |
| SCHEMBL7217698 | 0.80 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4087256-A | REACTING ALPHATIC POLYAMINE WITH BETA-DIKETONE, REACTING RESULTING PRODUCT WITH SALICYLALDEHYDE, PREVENTING OXIDATIVE DEGRADATION OR COPPER-MERCAPTAN GELATION | ASHLAND OIL, INC. (US) | 1978-05-02 | — | — | US | disclosed |
| US-4065498-A | REACTING 1,2-ALKANEDIAMINE AND A 2,4-DIONE | ASHLAND OIL, INC. (US) | 1977-12-27 | — | — | US | disclosed |
| US-4022835-A | ALIPHATIC POLYAMINES, BETA-DIKETONE, SALICYLALDEHYDE | ASHLAND OIL, INC. (US) | 1977-05-10 | — | — | US | disclosed |