⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21784759 | 1.00 | — | — | |
| SCHEMBL21780583 | 1.00 | — | — | |
| SCHEMBL21780598 | 0.86 | — | — | |
| SCHEMBL21784749 | 0.86 | — | — | |
| SCHEMBL24839953 | 0.85 | CHRM1 (0.37) | — | |
| SCHEMBL23001528 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL18357482 | 0.83 | CHRM1 (0.33) | — | |
| SCHEMBL24839955 | 0.81 | CHRM1 (0.32) | — | |
| SCHEMBL21780522 | 0.80 | — | — | |
| SCHEMBL21784755 | 0.80 | — | — |
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-2020047239-A1 | INHIBITING αV β6 INTEGRIN | MORPHIC THERAPEUTIC, INC. (US) | 2020-03-05 | — | — | WO | disclosed |