⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL431589 | 0.77 | — | — | |
| SCHEMBL10932545 | 0.77 | CA1 (0.35) | — | |
| SCHEMBL20663434 | 0.77 | — | — | |
| SCHEMBL16810002 | 0.73 | MT-CO2 (0.41) | — | |
| SCHEMBL3277309 | 0.72 | CA1 (0.43) | — | |
| SCHEMBL14310784 | 0.70 | — | — | |
| SCHEMBL7123770 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL7914021 | 0.69 | TRIM24 (0.30) | — | |
| SCHEMBL6212284 | 0.69 | HTR2A (0.32) | — | |
| SCHEMBL6673136 | 0.69 | CA1 (0.35) | — |
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-5418232-A | Hypotensive, increases renal blood flow | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1995-05-23 | — | — | US | disclosed |