⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27858236 | 0.77 | — | — | |
| SCHEMBL27928341 | 0.77 | — | — | |
| SCHEMBL27953989 | 0.77 | — | — | |
| SCHEMBL16399201 | 0.77 | — | — | |
| SCHEMBL5883850 | 0.77 | — | — | |
| SCHEMBL1416291 | 0.77 | — | — | |
| SCHEMBL11196649 | 0.75 | HSP90AA1 (0.46) | — | |
| SCHEMBL17591561 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL22110815 | 0.74 | HSP90AA1 (0.37) | — | |
| SCHEMBL19732852 | 0.74 | HSP90AA1 (0.41) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107954989-A | The preparation method of efficient selective EGFR mutant inhibitor AZD9291 | 李梦雪 | 2018-04-24 | — | — | CN | claimed |
| CN-110099901-A | Pyrazolo [3,4-b] pyridine and imidazo [1,5-b] pyridazine as PDE1 inhibitor | H.隆德贝克有限公司 | 2019-08-06 | — | — | CN | disclosed |
| CN-110003209-A | Macrocyclic compound as TRK kinase inhibitor | 阵列生物制药公司 | 2019-07-12 | — | — | CN | disclosed |
| CN-109311872-A | 1H- pyrazolo [4,3-b] pyridine as PDE1 inhibitor | H.隆德贝克有限公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-105693720-B | Macrocyclic compound as TRK kinase inhibitor | 阵列生物制药公司 | 2019-01-18 | — | — | CN | disclosed |
| CN-107954989-A | The preparation method of efficient selective EGFR mutant inhibitor AZD9291 | 李梦雪 | 2018-04-24 | — | — | CN | disclosed |
| CN-105340100-B | Organic electroluminescent device heterocyclic compound and application thereof | 东曹株式会社 | 2018-01-30 | — | — | CN | disclosed |
| CN-103857670-B | 2-oxo-piperidinyl derivatives | UCB PHARMA S.A. (BE) | 2016-03-23 | — | — | CN | disclosed |
| CN-105340100-A | Heterocyclic compound for organic electroluminescence element and application therefor | TOSOH CORP | 2016-02-17 | — | — | CN | disclosed |
| CN-105061433-A | Synthetic method for 5-bromo-imidazo[1, 2-A]pyrimidine-3-carboxylate and corresponding acid thereof | HENAN VIOLET TECHNOLOGY CO LTD | 2015-11-18 | — | — | CN | disclosed |
| CN-104628781-A | Organic iridium metal complex as well as preparation method and application thereof | OCEANS KING LIGHTING SCIENCE | 2015-05-20 | — | — | CN | disclosed |
| CN-104560024-A | Organic electroluminescent material, preparation method of organic electroluminescent material and organic electroluminescent device | OCEANS KING LIGHTING SCIENCE | 2015-04-29 | — | — | CN | disclosed |
| CN-104560022-A | Organic electroluminescent material, preparation method of organic electroluminescent material and organic electroluminescent device | OCEANS KING LIGHTING SCIENCE | 2015-04-29 | — | — | CN | disclosed |
| CN-104321325-A | Pyrrolopyrrolidinone compounds | NOVARTIS AG | 2015-01-28 | — | — | CN | disclosed |
| CN-103857670-A | 2-oxo-piperidinyl derivatives | UCB PHARMA GMBH | 2014-06-11 | — | — | CN | disclosed |
| CN-101389622-B | Pyrimidine derivatives used as pi-3 kinase inhibitors | NOVARTIS AG | 2013-04-17 | — | — | CN | disclosed |