⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8769044 | 0.75 | MEN1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL8380795 | 0.74 | — | — | |
| SCHEMBL7106053 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL7553303 | 0.67 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL674165 | 0.67 | — | — | |
| SCHEMBL7542664 | 0.65 | GPR3 (0.33) | — | |
| SCHEMBL2871656 | 0.64 | NPC1 (0.30) | — | |
| SCHEMBL3682619 | 0.63 | GPR3 (0.30) | — | |
| SCHEMBL2273223 | 0.63 | — | — | |
| SCHEMBL16411361 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040030051-A1 | Polypropylene having low isotacticity and relatively high melting point | BASELL POLYPROPYLEN GMBH (DE) | 2004-02-12 | — | — | US | disclosed |