⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8941051 | 0.71 | TKT (0.32) | — | |
| SCHEMBL17857871 | 0.68 | ALDH1A1 (0.49) | — | |
| SCHEMBL11926384 | 0.64 | CHRNA7 (0.43) | — | |
| SCHEMBL12789356 | 0.64 | ALDH1A1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL2953104 | 0.61 | ALDH1A1 (0.50) | — | |
| SCHEMBL10595348 | 0.61 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL16624834 | 0.60 | F13A1 (0.30) | — | |
| SCHEMBL4400297 | 0.60 | KMT2A (0.56) | — | |
| Bromide SCHEMBL6074195 | 0.59 | MAPT (0.33) | — | |
| SCHEMBL18725323 | 0.59 | KDM4E (0.52) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9622469-B2 | Crosslink breakers for preservation of biological substances | SPIEGEL DAVID (US) | 2017-04-18 | — | — | US | disclosed |
| US-20150099260-A1 | Crosslink Breakers for Preservation of Biological Substances | SPIEGEL DAVID (US) | 2015-04-09 | — | — | US | disclosed |