⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL743227 | 1.00 | — | — | |
| Phosphoric Acid SCHEMBL27793397 | 0.90 | CA1 (0.53) | — | |
| SCHEMBL16805849 | 0.90 | CA1 (0.52) | — | |
| SCHEMBL497334 | 0.85 | CA1 (0.74) | — | |
| SCHEMBL23603578 | 0.84 | CA1 (0.61) | — | |
| Ether SCHEMBL11286810 | 0.84 | CA1 (0.61) | — | |
| SCHEMBL12909793 | 0.83 | CA1 (0.71) | — | |
| SCHEMBL7160070 | 0.83 | CA1 (0.71) | — | |
| SCHEMBL15015015 | 0.83 | CA1 (0.59) | — | |
| SCHEMBL9839094 | 0.83 | CA1 (0.59) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240228509-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | ABBVIE INC (US) | 2024-07-11 | — | — | US | disclosed |
| US-20230399340-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | ABBVIE INC (US) | 2023-12-14 | — | — | US | disclosed |
| US-20230183261-A1 | Macrocyclic MCL-1 Inhibitors and Methods of Use | ABBVIE INC (US) | 2023-06-15 | — | — | US | disclosed |
| US-20130338141-A1 | HIV INTEGRASE INHIBITORS | ISAACS RICHARD C (US) | 2013-12-19 | — | — | US | disclosed |
| US-8513234-B2 | HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-08-20 | — | — | US | disclosed |
| US-8513234-B2 | HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-08-20 | — | — | US | disclosed |
| WO-2010042391-A2 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-04-15 | — | — | WO | disclosed |
| WO-2010042391-A2 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-04-15 | — | — | WO | disclosed |
| US-20100087419-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-04-08 | — | — | US | disclosed |
| US-20100087419-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-04-08 | — | — | US | disclosed |