⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10070297 | 0.78 | — | — | |
| SCHEMBL1155881 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL18934385 | 0.78 | CDA (0.36) | — | |
| SCHEMBL11964124 | 0.76 | LMNA (0.38) | — | |
| SCHEMBL18713039 | 0.76 | CDA (0.36) | — | |
| SCHEMBL24843680 | 0.75 | ESR1 (0.51) | — | |
| SCHEMBL28748596 | 0.74 | — | — | |
| SCHEMBL27465054 | 0.74 | ADORA2B (0.37) | — | |
| SCHEMBL9749715 | 0.74 | ADORA2B (0.37) | — | |
| SCHEMBL9963192 | 0.74 | BRD4 (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015138794-A9 | COSMETIC PRESERVATIVES AS THERAPEUTIC CORNEOSCLERAL TISSUE CROSS-LINKING AGENTS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2016-03-31 | — | — | WO | claimed |
| WO-2015138794-A1 | COSMETIC PRESERVATIVES AS THERAPEUTIC CORNEOSCLERAL TISSUE CROSS-LINKING AGENTS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2015-09-17 | — | — | WO | claimed |
| WO-2015138786-A1 | COSMETIC PRESERVATIVES AS THERAPEUTIC CORNEOSCLERAL TISSUE CROSS-LINKING AGENTS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2015-09-17 | — | — | WO | claimed |
| WO-2015138786-A1 | COSMETIC PRESERVATIVES AS THERAPEUTIC CORNEOSCLERAL TISSUE CROSS-LINKING AGENTS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2015-09-17 | — | — | WO | disclosed |