⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2553369 | 0.86 | ALDH1A1 (0.39) | — | |
| SCHEMBL22756786 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL4922033 | 0.74 | — | — | |
| SCHEMBL756567 | 0.74 | — | — | |
| SCHEMBL20376216 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL105653 | 0.70 | — | — | |
| SCHEMBL6601699 | 0.70 | — | — | |
| SCHEMBL4442903 | 0.69 | CA2 (0.40) | — | |
| Hydrochloric Acid SCHEMBL28224884 | 0.69 | BBOX1 (0.40) | — | |
| SCHEMBL7820391 | 0.69 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017147410-A1 | COMPOUNDS THAT INHIBIT MCL-1 PROTEIN | AMGEN INC. (US) | 2017-08-31 | — | — | WO | disclosed |
| US-8716293-B2 | Macrocyclic integrase inhibitors | JANSSEN R&D IRELAND (IE) | 2014-05-06 | — | — | US | disclosed |
| US-8716293-B2 | Macrocyclic integrase inhibitors | JANSSEN R&D IRELAND (IE) | 2014-05-06 | — | — | US | disclosed |
| US-8716293-B2 | Macrocyclic integrase inhibitors | JANSSEN R&D IRELAND (IE) | 2014-05-06 | — | — | US | disclosed |
| EP-2552923-B1 | MACROCYCLIC INTEGRASE INHIBITORS | JANSSEN R & D IRELAND (IE) | 2014-03-26 | — | — | EP | disclosed |
| EP-2552923-B1 | MACROCYCLIC INTEGRASE INHIBITORS | JANSSEN R & D IRELAND (IE) | 2014-03-26 | — | — | EP | disclosed |
| US-20130035341-A1 | MACROCYCLIC INTEGRASE INHIBITORS | JANSSEN R&D IRELAND (IE) | 2013-02-07 | — | — | US | disclosed |
| US-20130035341-A1 | MACROCYCLIC INTEGRASE INHIBITORS | JANSSEN R&D IRELAND (IE) | 2013-02-07 | — | — | US | disclosed |
| US-20130035341-A1 | MACROCYCLIC INTEGRASE INHIBITORS | JANSSEN R&D IRELAND (IE) | 2013-02-07 | — | — | US | disclosed |
| EP-2552923-A1 | MACROCYCLIC INTEGRASE INHIBITORS | Janssen R&D Ireland (IE) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011121105-A1 | MACROCYCLIC INTEGRASE INHIBITORS | TIBOTEC PHARMACEUTICALS (IE) | 2011-10-06 | — | — | WO | disclosed |
| EP-0025765-B1 | PROCESS FOR THE SEPARATION WITH THE AID OF SULFON AMIDES OF DIENIC AND/OR AROMATIC HYDROCARBONS FROM HYDROCARBON MIXTURES CONTAINING THEM | COMPAGNIE FRANCAISE DE RAFFINAGE Société anonyme dite: (FR) | 1982-12-22 | — | — | EP | disclosed |
| EP-0025765-A1 | Process for the separation with the aid of sulfon amides of dienic and/or aromatic hydrocarbons from hydrocarbon mixtures containing them | COMPAGNIE FRANCAISE DE RAFFINAGE Société anonyme dite: (FR) | 1981-03-25 | — | — | EP | disclosed |