⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8057530 | 0.94 | MTNR1A (0.33) | — | |
| SCHEMBL8071405 | 0.88 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL8068961 | 0.84 | IDH2 (0.32) | — | |
| SCHEMBL8066845 | 0.83 | CYP1A2 (0.32) | — | |
| SCHEMBL8057784 | 0.83 | MTNR1A (0.31) | — | |
| SCHEMBL8069547 | 0.83 | ALOX15 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8068022 | 0.81 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL8068006 | 0.81 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL8068959 | 0.81 | EPHX1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8072210 | 0.80 | MTNR1A (0.32) | — |
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-6127496-A | POLYMERIZING OLEFINICALLY UNSATURATED COMPOUNDS IN PRESENCE OF METALLOCENE CATALYST SYSTEM CONTAINING A COMPOUND CAPABLE OF FORMING METALLOCENIUM IONS | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-03 | — | — | US | disclosed |
| US-6077965-A | Metal complexes with an adamantane-like structure | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-20 | — | — | US | disclosed |