⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29016409 | 0.86 | — | — | |
| SCHEMBL12172818 | 0.85 | EPHX1 (0.71) | — | |
| SCHEMBL14067802 | 0.83 | EPHX1 (0.83) | — | |
| SCHEMBL10817551 | 0.83 | EPHX1 (0.83) | — | |
| SCHEMBL10812052 | 0.83 | EPHX1 (0.83) | — | |
| SCHEMBL10812071 | 0.83 | EPHX1 (0.83) | — | |
| SCHEMBL10817110 | 0.83 | EPHX1 (0.83) | — | |
| SCHEMBL16541245 | 0.80 | CHRNB2 (0.65) | — | |
| SCHEMBL20661311 | 0.79 | — | — | |
| SCHEMBL968307 | 0.79 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230248832-A1 | Small Molecule Ligand-Drug Conjugates for Targeted Cancer Therapy | UNIV EMORY (US) | 2023-08-10 | — | — | US | disclosed |
| US-10723760-B2 | Method for preparing site-specifically modified protein based on novel carbon-carbon bond formation | KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2020-07-28 | — | — | US | disclosed |
| WO-2018044130-A1 | NOVEL METHOD FOR PRODUCING PROTEIN HAVING A CARBON-CARBON BOND-BASED SITE-SPECIFIC MODIFICATION | 한국과학기술원 | 2018-03-08 | — | — | WO | disclosed |
| US-20180066011-A1 | METHOD FOR PREPARING SITE-SPECIFICALLY MODIFIED PROTEIN BASED ON NOVEL CARBON-CARBON BOND FORMATION | PROMEDIGEN (KR) | 2018-03-08 | — | — | US | disclosed |
| US-20160310604-A1 | SMALL MOLECULE LIGAND-DRUG CONJUGATES FOR TARGETED CANCER THERAPY | CEDARS-SINAI MEDICAL CENTER | 2016-10-27 | — | — | US | disclosed |
| US-20160310604-A1 | SMALL MOLECULE LIGAND-DRUG CONJUGATES FOR TARGETED CANCER THERAPY | CEDARS-SINAI MEDICAL CENTER | 2016-10-27 | — | — | US | disclosed |
| US-20110085974-A1 | SMALL MOLECULE LIGAND-DRUG CONJUGATES FOR TARGETED CANCER THERAPY | CEDARS-SINAI MEDICAL CENTER (US) | 2011-04-14 | — | — | US | disclosed |