⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22208124 | 1.00 | — | — | |
| SCHEMBL20680100 | 1.00 | — | — | |
| SCHEMBL3320953 | 1.00 | — | — | |
| SCHEMBL5092375 | 1.00 | — | — | |
| SCHEMBL16635567 | 1.00 | — | — | |
| SCHEMBL29230833 | 1.00 | — | — | |
| SCHEMBL2853164 | 1.00 | — | — | |
| SCHEMBL8763577 | 0.86 | — | — | |
| SCHEMBL4254075 | 0.82 | ATM (0.42) | — | |
| SCHEMBL1442995 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117916245-A | Pyrimidine ring compound and preparation method and application thereof | 劲方医药科技(上海)有限公司 | 2024-04-19 | — | — | CN | disclosed |
| EP-4087573-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2022-11-16 | — | — | EP | disclosed |
| EP-4065585-A1 | SUBSTITUTED MACROCYCLIC COMPOUNDS AND RELATED METHODS OF TREATMENT | Alkermes, Inc. (US) | 2022-10-05 | — | — | EP | disclosed |
| EP-3166939-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF | Genentech, Inc. (US) | 2017-05-17 | — | — | EP | disclosed |
| WO-2016007534-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2016-01-14 | — | — | WO | disclosed |
| EP-2917228-A1 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS | Ensemble Therapeutics Corporation (US) | 2015-09-16 | — | — | EP | disclosed |
| WO-2014074665-A1 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-05-15 | — | — | WO | disclosed |
| CN-102458116-A | Iap inhibitors | TETRALOGIC PHARM CORP | 2012-05-16 | — | — | CN | disclosed |
| CN-102458115-A | Iap inhibitors | TETRALOGIC PHARM CORP | 2012-05-16 | — | — | CN | disclosed |
| WO-2011068926-A1 | IAP INHIBITORS | TETRALOGIC PHARMACEUTICALS CORP. (US) | 2011-06-09 | — | — | WO | disclosed |
| CN-101951766-A | Inhibitor of apoptosis-inhibiting protein | TETRALOGIC PHARMACEUTICAL CORP | 2011-01-19 | — | — | CN | disclosed |
| EP-2250171-A2 | ANTIBACTERIAL FLUOROQUINOLONE ANALOGS | Achaogen, Inc. (US) | 2010-11-17 | — | — | EP | disclosed |
| WO-2009137130-A2 | ANTIBACTERIAL FLUOROQUINOLONE ANALOGS | ACHAOGEN, INC. (US) | 2009-11-12 | — | — | WO | disclosed |