⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2204113 | 1.00 | — | — | |
| SCHEMBL861622 | 0.97 | CHRNB2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL11868810 | 0.95 | CHRNB2 (0.38) | — | |
| SCHEMBL7680464 | 0.88 | — | — | |
| SCHEMBL1072392 | 0.88 | MEN1 (0.30) | — | |
| SCHEMBL23872300 | 0.82 | LTA4H (0.42) | — | |
| SCHEMBL11249607 | 0.80 | CXCR4 (0.47) | — | |
| SCHEMBL10748748 | 0.79 | HRH3 (0.43) | — | |
| SCHEMBL7227482 | 0.79 | HRH3 (0.43) | — | |
| SCHEMBL23872301 | 0.79 | HRH3 (0.43) | — |
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-6072999-A | — | — | None | — | — | JP | disclosed |
| JP-H0672999-A | PRODUCTION OF AMINOALKYLPYRROLIDINE COMPOUND | FUJISAWA PHARMACEUT CO LTD | 1994-03-15 | — | — | JP | disclosed |