⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4405692 | 0.79 | — | — | |
| SCHEMBL4033007 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL4407247 | 0.76 | ALDH1A1 (0.46) | — | |
| SCHEMBL6473514 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL6474091 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL21025302 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL95968 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL4788963 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL10616300 | 0.71 | — | — | |
| SCHEMBL2869460 | 0.71 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9751888-B2 | Heterocyclic compounds and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2017-09-05 | — | — | US | disclosed |
| US-9751888-B2 | Heterocyclic compounds and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2017-09-05 | — | — | US | disclosed |
| US-20160222016-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | TWELVE THERAPEUTICS, INC. | 2016-08-04 | — | — | US | disclosed |
| US-20160222016-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | TWELVE THERAPEUTICS, INC. | 2016-08-04 | — | — | US | disclosed |
| WO-2015051241-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2015-04-09 | — | — | WO | disclosed |
| US-8053574-B2 | Organic compounds | NOVARTIS AG (CH) | 2011-11-08 | — | — | US | disclosed |
| US-8053574-B2 | Organic compounds | NOVARTIS AG (CH) | 2011-11-08 | — | — | US | disclosed |
| US-8053574-B2 | Organic compounds | NOVARTIS AG (CH) | 2011-11-08 | — | — | US | disclosed |
| US-20100197682-A1 | Organic Compounds | NOVARTIS AG | 2010-08-05 | — | — | US | disclosed |
| US-20100197682-A1 | Organic Compounds | NOVARTIS AG | 2010-08-05 | — | — | US | disclosed |
| US-20100197682-A1 | Organic Compounds | NOVARTIS AG | 2010-08-05 | — | — | US | disclosed |
| EP-2178868-A1 | BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | Novartis Ag (CH) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009010530-A1 | BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2009-01-22 | — | — | WO | disclosed |
| WO-2009010530-A1 | BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2009-01-22 | — | — | WO | disclosed |