⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8918705 | 1.00 | — | — | |
| SCHEMBL3821171 | 1.00 | — | — | |
| SCHEMBL10949001 | 0.81 | — | — | |
| SCHEMBL19346351 | 0.81 | — | — | |
| SCHEMBL10949004 | 0.81 | — | — | |
| SCHEMBL8918769 | 0.81 | GABRR1 (0.36) | — | |
| SCHEMBL8918776 | 0.81 | GABRR1 (0.36) | — | |
| SCHEMBL13893573 | 0.77 | — | — | |
| SCHEMBL295248 | 0.77 | — | — | |
| SCHEMBL295247 | 0.77 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1436286-B1 | FUMAGILLOL DERIVATIVES AND PREPARING METHOD THEREOF | EQUISPHARM CO LTD (KR) | 2009-08-19 | — | — | EP | disclosed |
| US-5691366-A | UNSATURATED NITRO OXIME FORMED BY REACTION OF DINITROGEN TRIOXIDE WITH DIOLEFIN ETHER, SULFIDE OR AMINE TO BE USED AS VASODILATORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-11-25 | — | — | US | disclosed |
| US-5495023-A | VASODILATORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-02-27 | — | — | US | disclosed |
| EP-0612315-A1 | NITRO COMPOUNDS HAVING VASODILATOR ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1994-08-31 | — | — | EP | disclosed |
| WO-1993010097-A1 | NITRO COMPOUNDS HAVING VASODILATOR ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1993-05-27 | — | — | WO | disclosed |