⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15469873 | 0.72 | — | — | |
| SCHEMBL7382285 | 0.71 | — | — | |
| SCHEMBL14960000 | 0.71 | — | — | |
| SCHEMBL13295402 | 0.65 | — | — | |
| SCHEMBL28418315 | 0.64 | — | — | |
| SCHEMBL1111488 | 0.62 | — | — | |
| SCHEMBL24246532 | 0.61 | — | — | |
| SCHEMBL6360708 | 0.59 | — | — | |
| SCHEMBL85991 | 0.53 | — | — | |
| SCHEMBL932700 | 0.53 | — | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4031257-A | CHEWING GUM, MEDICINAL PRODUCTS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-06-21 | — | — | US | claimed |
| JP-7247283-A | — | — | None | — | — | JP | disclosed |
| WO-2023227676-A1 | HERBICIDAL MALONIC ACID MONOAMIDES AND MALONAMIDE ESTERS | BASF SE (DE) | 2023-11-30 | — | — | WO | disclosed |
| WO-2022112351-A1 | HERBICIDAL MALONAMIDES | BASF SE (DE) | 2022-06-02 | — | — | WO | disclosed |
| US-20140073662-A1 | Spirocyclic nitriles as protease inhibitors | SANOFI (FR) | 2014-03-13 | — | — | US | disclosed |
| US-20140073662-A1 | Spirocyclic nitriles as protease inhibitors | SANOFI (FR) | 2014-03-13 | — | — | US | disclosed |
| EP-2520568-A1 | Spirocyclic nitriles as inhibitors of protease | SANOFI (FR) | 2012-11-07 | — | — | EP | disclosed |
| EP-2032535-B1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | SANOFI SA (FR) | 2012-08-01 | — | — | EP | disclosed |
| US-20120015933-A1 | Spirocyclic nitriles as protease inhibitors | SANOFI-AVENTIS (FR) | 2012-01-19 | — | — | US | disclosed |
| US-8053578-B2 | Alpha-fluoroalkyl dihydrotetrabenazine imaging agents and probes | GENERAL ELECTRIC COMPANY (US) | 2011-11-08 | — | — | US | disclosed |
| US-4525478-A | Certain 4-aryl-1,4-dihydro-3,5-pyridinedicarboxylates having vasodilating and anti-hypertensive properties | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1985-06-25 | — | — | US | disclosed |
| US-4370334-A | VASODILATION | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1983-01-25 | — | — | US | disclosed |
| US-4364400-A | 1,3-OXATHIANE AND 1,3-OXATHIOLANE DERIVATIVES | FIRMENICH SA (CH) | 1982-12-21 | — | — | US | disclosed |
| US-4338322-A | 1,4-Dihydropyridine derivatives, pharmaceutical compositions containing same and methods of effecting vasodilation using same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1982-07-06 | — | — | US | disclosed |
| US-4284634-A | HYPOTENSIVE VASODILATORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-08-18 | — | — | US | disclosed |
| US-4262030-A | 1,3-OXATHIANE AND 1,3-OXATHIOLANE DERIVATIVES | FIRMENICH SA (CH) | 1981-04-14 | — | — | US | disclosed |
| US-4220561-A | Oxathiane and oxathiolane derivatives as perfuming agents | FIRMENICH SA (CH) | 1980-09-02 | — | — | US | disclosed |
| US-4145432-A | 6-ACYLORYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND A METHOD OF EFFECTING VASODILATION THEREWITH | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1979-03-20 | — | — | US | disclosed |
| US-4042601-A | ORGANOLEPTIC, FOODS, CHEWING GUM, MEDICINES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-08-16 | — | — | US | disclosed |
| US-4031257-A | CHEWING GUM, MEDICINAL PRODUCTS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-06-21 | — | — | US | disclosed |