⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5175203 | 0.74 | GPR3 (0.37) | — | |
| SCHEMBL7052518 | 0.72 | GPR3 (0.32) | — | |
| SCHEMBL6678473 | 0.72 | GPR3 (0.32) | — | |
| SCHEMBL6659150 | 0.71 | GPR3 (0.31) | — | |
| SCHEMBL20986960 | 0.71 | HTR2A (0.39) | — | |
| Hydrochloric Acid SCHEMBL7052532 | 0.70 | GPR3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7051978 | 0.70 | GPR3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7052494 | 0.70 | GPR3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7051182 | 0.70 | GPR3 (0.30) | — | |
| SCHEMBL7561178 | 0.69 | HTR2A (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-7138275-A | — | — | None | — | — | JP | disclosed |
| JP-H07138275-A | METALLOCENE, AND OLEFIN POLYMERIZATION USING THE SAME AS CATALYST | PHILLIPS PETROLEUM CO | 1995-05-30 | — | — | JP | disclosed |