⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6488288 | 0.68 | — | — | |
| SCHEMBL16269303 | 0.67 | — | — | |
| SCHEMBL18986435 | 0.67 | — | — | |
| SCHEMBL9418654 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL9418650 | 0.65 | — | — | |
| SCHEMBL9418657 | 0.65 | — | — | |
| SCHEMBL1374641 | 0.59 | — | — | |
| SCHEMBL12332006 | 0.58 | ALDH1A1 (0.38) | — | |
| SCHEMBL447169 | 0.55 | — | — | |
| SCHEMBL2241228 | 0.55 | ALDH1A1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200216439-A1 | HETERO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2020-07-09 | — | — | US | disclosed |
| WO-2017102649-A1 | HETERO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-06-22 | — | — | WO | disclosed |
| US-9243000-B2 | Thia-triaza-indacenes | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-01-26 | — | — | US | disclosed |
| US-9243000-B2 | Thia-triaza-indacenes | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-01-26 | — | — | US | disclosed |
| US-9243000-B2 | Thia-triaza-indacenes | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-01-26 | — | — | US | disclosed |
| EP-2421872-B1 | THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INT (DE) | 2015-06-10 | — | — | EP | disclosed |
| EP-2421872-B1 | THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INT (DE) | 2015-06-10 | — | — | EP | disclosed |
| US-20120108618-A1 | THIA-TRIAZA-INDACENES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-05-03 | — | — | US | disclosed |
| US-20120108618-A1 | THIA-TRIAZA-INDACENES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-05-03 | — | — | US | disclosed |
| US-20120108618-A1 | THIA-TRIAZA-INDACENES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-05-03 | — | — | US | disclosed |
| EP-2421872-A1 | THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER | Boehringer Ingelheim International GmbH (DE) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010122091-A1 | THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-10-28 | — | — | WO | disclosed |
| WO-2010122091-A1 | THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-10-28 | — | — | WO | disclosed |