⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL970210 | 0.79 | ESR1 (0.31) | — | |
| SCHEMBL31448050 | 0.79 | ESR1 (0.31) | — | |
| SCHEMBL48385 | 0.76 | CA1 (0.38) | — | |
| SCHEMBL28208517 | 0.73 | CA1 (0.36) | — | |
| SCHEMBL2490977 | 0.73 | CA12 (0.30) | — | |
| SCHEMBL16958836 | 0.73 | CES2 (0.43) | — | |
| SCHEMBL3986050 | 0.71 | ESR1 (0.31) | — | |
| SCHEMBL2485696 | 0.71 | — | — | |
| SCHEMBL18657004 | 0.71 | — | — | |
| SCHEMBL25527559 | 0.71 | ESR2 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018047197-A1 | SITE-SELECTIVE PEPTIDES AND PROTEIN LABELLING AND SYNTHESIS OF HOMOGENOUS PROTEIN CONJUGATES | Indian Institute Of Science Education And Research Bhopal (IN) | 2018-03-15 | — | — | WO | disclosed |