⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL333543 | 0.94 | CYP3A4 (0.33) | — | |
| SCHEMBL10679809 | 0.87 | CYP3A4 (0.31) | — | |
| SCHEMBL8053397 | 0.82 | — | — | |
| SCHEMBL31087640 | 0.78 | LMNA (0.39) | — | |
| SCHEMBL8059746 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL8059644 | 0.76 | MAPK1 (0.30) | — | |
| SCHEMBL10939963 | 0.75 | CYP3A4 (0.35) | — | |
| SCHEMBL16392341 | 0.69 | — | — | |
| SCHEMBL21553412 | 0.67 | CYP3A4 (0.31) | — | |
| SCHEMBL2464072 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107011496-A | The preparation method of no-solvent type water dispersible carbamate resins and the water-soluble coating composition for including the resin thus prepared | 株式会社KCC | 2017-08-04 | — | — | CN | disclosed |
| US-5908378-A | Bi-ventricular cardiac assist device | DUKE UNIVERSITY (US) | 1999-06-01 | — | — | US | disclosed |
| US-5738627-A | Bi-ventricular cardiac assist device | DUKE UNIVERSITY (US) | 1998-04-14 | — | — | US | disclosed |
| US-4798872-A | Alkylene phosphonate acid ester polyols | ASHLAND OIL, INC. (US) | 1989-01-17 | — | — | US | disclosed |
| US-4696992-A | Thiol carbamates as latent accelerators for curing epoxy resins | ASHLAND OIL, INC. (US) | 1987-09-29 | — | — | US | disclosed |