⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28643260 | 0.84 | CYP1A2 (0.33) | — | |
| SCHEMBL29617344 | 0.84 | CYP1A2 (0.33) | — | |
| SCHEMBL5805381 | 0.65 | GPR3 (0.31) | — | |
| SCHEMBL6471242 | 0.64 | NPC1 (0.32) | — | |
| SCHEMBL3994179 | 0.63 | HTR2A (0.42) | — | |
| SCHEMBL8439620 | 0.62 | HTR2A (0.41) | — | |
| SCHEMBL9168451 | 0.62 | MEN1 (0.34) | — | |
| SCHEMBL6673853 | 0.61 | HTR2A (0.40) | — | |
| Hydrochloric Acid SCHEMBL9066834 | 0.61 | HTR2A (0.40) | — | |
| Hydrochloric Acid SCHEMBL6560684 | 0.61 | HTR2A (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3994144-A1 | A NEW PROCESS FOR SYNTHESIZING C2 BRIDGED CYCLOPENTADIENYL LIGANDS AND CORRESPONDING ANSA-METALLOCENE CATALYSTS | Haldia Petrochemicals Limited (IN) | 2022-05-11 | — | — | EP | disclosed |