⚠ 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 | |
|---|---|---|---|---|
| Phosphonoacetohydroxamate SCHEMBL411386 | 0.77 | — | — | |
| SCHEMBL7482527 | 0.74 | — | — | |
| SCHEMBL9257748 | 0.74 | — | — | |
| Lithium Ion SCHEMBL28856344 | 0.72 | ENO1 (0.56) | — | |
| SCHEMBL8446275 | 0.70 | ENO1 (0.54) | — | |
| SCHEMBL5063490 | 0.70 | ENO1 (0.54) | — | |
| SCHEMBL11663515 | 0.69 | ENO1 (0.52) | — | |
| Butane SCHEMBL11180943 | 0.69 | ENO1 (0.52) | — | |
| SCHEMBL9204263 | 0.69 | ENO1 (0.52) | — | |
| SCHEMBL21685551 | 0.69 | ENO1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9642835-B2 | Modulators of GTPase and use in relevant treatment | STC.UNM (US) | 2017-05-09 | — | — | US | disclosed |
| US-20130345277-A1 | Modulators of GTPase and Use In Relevant Treatment | Kansas University Center for Technology Commercialization, Inc. (US) | 2013-12-26 | — | — | US | disclosed |
| US-20130281493-A1 | Method for Treating Cancer Harboring a p53 Mutation | THE TRUSTEES OF THE UNIVERSITY OF COLUMBIA IN THE CITY OF NEW YORK (US) | 2013-10-24 | — | — | US | disclosed |
| EP-2625294-A2 | METHOD FOR TREATING CANCER HARBORING A p53 MUTATION | Columbia University (US) | 2013-08-14 | — | — | EP | disclosed |
| WO-2012048303-A2 | METHOD FOR TREATING CANCER HARBORING A p53 MUTATION | COLUMBIA UNIVERSITY (US) | 2012-04-12 | — | — | WO | disclosed |