⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25331669 | 0.77 | TDP1 (0.44) | — | |
| SCHEMBL4800255 | 0.76 | — | — | |
| SCHEMBL25336917 | 0.74 | ALDH1A1 (0.45) | — | |
| SCHEMBL12039946 | 0.68 | HSP90AA1 (0.54) | — | |
| SCHEMBL25333417 | 0.65 | ALDH1A1 (0.57) | — | |
| SCHEMBL25333878 | 0.64 | — | — | |
| SCHEMBL10623818 | 0.64 | HSP90AA1 (0.45) | — | |
| SCHEMBL266824 | 0.62 | LMNA (0.70) | — | |
| SCHEMBL13381464 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL19027606 | 0.60 | HSP90AA1 (0.46) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200390100-A1 | SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AG (DE) | 2020-12-17 | — | — | US | disclosed |
| US-9540323-B2 | 7-hydroxy-indolinyl antagonists of P2Y1 receptor | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-01-10 | — | — | US | disclosed |
| US-9428504-B2 | 7-hydroxy-spiropipiperidine indolinyl antagonists of P2Y1 receptor | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-08-30 | — | — | US | disclosed |
| US-20150259286-A1 | 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR | BRISTOL-MYERS SQUIBB COMPANY | 2015-09-17 | — | — | US | disclosed |
| US-20150166538-A1 | 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR | BRISTOL-MYERS SQUIBB COMPANY | 2015-06-18 | — | — | US | disclosed |
| EP-1377642-B1 | COLORING COMPOSITION FOR IMAGE FORMATION AND METHOD FOR IMPROVING OZONE RESISTANCE OF COLOR IMAGE | FUJIFILM CORP (JP) | 2013-01-09 | — | — | EP | disclosed |