⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16984016 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL11334483 | 0.80 | NPC1 (0.42) | — | |
| SCHEMBL11337869 | 0.79 | NPC1 (0.49) | — | |
| SCHEMBL22342731 | 0.77 | NPC1 (0.50) | — | |
| SCHEMBL22342727 | 0.77 | NPC1 (0.50) | — | |
| SCHEMBL22342726 | 0.77 | NPC1 (0.50) | — | |
| SCHEMBL3733259 | 0.75 | CA12 (0.55) | — | |
| SCHEMBL10428457 | 0.74 | DRD2 (0.31) | — | |
| SCHEMBL4964199 | 0.74 | CA12 (0.32) | — | |
| SCHEMBL9192984 | 0.74 | AKR1B1 (0.51) | — |
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-119219608-A | Polycyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-12-31 | — | — | CN | disclosed |
| US-20240352037-A1 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. | 2024-10-24 | — | — | US | disclosed |
| US-12054498-B2 | Heteroaromatic macrocyclic ether chemotherapeutic agents | NUVALENT, INC. (US) | 2024-08-06 | — | — | US | disclosed |
| WO-2023151636-A1 | HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | BEIGENE , LTD. (KY) | 2023-08-17 | — | — | WO | disclosed |
| WO-2023151641-A1 | HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | BEIGENE , LTD. (KY) | 2023-08-17 | — | — | WO | disclosed |
| US-20230107663-A1 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. | 2023-04-06 | — | — | US | disclosed |
| CN-115916754-A | Heteroaromatic macrocyclic ether chemotherapeutic agents | 纽威伦特公司 | 2023-04-04 | — | — | CN | disclosed |
| US-11542278-B1 | Heteroaromatic macrocyclic ether chemotherapeutic agents | NUVALENT, INC. (US) | 2023-01-03 | — | — | US | disclosed |
| US-11542278-B1 | Heteroaromatic macrocyclic ether chemotherapeutic agents | NUVALENT, INC. (US) | 2023-01-03 | — | — | US | disclosed |
| WO-2021226208-A2 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. (US) | 2021-11-11 | — | — | WO | disclosed |
| US-8946260-B2 | 17α-hydroxylase/C17,20-lyase inhibitors | NOVARTIS AG (CH) | 2015-02-03 | — | — | US | disclosed |
| CN-103108871-B | 17a-hydroxylase/c17,20-lyase inhibitors | NOVARTIS AG | 2014-09-10 | — | — | CN | disclosed |
| US-20140045872-A1 | 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2014-02-13 | — | — | US | disclosed |
| EP-2627648-A1 | 17aHYDROXYLASE/C17,20-LYASE INHIBITORS | Novartis AG (CH) | 2013-08-21 | — | — | EP | disclosed |
| CN-103108871-A | 17a-hydroxylase/c17,20-lyase inhibitors | NOVARTIS AG | 2013-05-15 | — | — | CN | disclosed |
| WO-2012035078-A1 | 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2012-03-22 | — | — | WO | disclosed |