⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27462342 | 0.77 | — | — | |
| SCHEMBL15116489 | 0.76 | — | — | |
| SCHEMBL10999225 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL8887828 | 0.76 | ALDH1A1 (0.39) | — | |
| Acetone SCHEMBL28323239 | 0.72 | ALDH1A1 (0.41) | — | |
| Acetone SCHEMBL3131149 | 0.72 | ALDH1A1 (0.41) | — | |
| Acetic Acid SCHEMBL9771962 | 0.72 | FFAR3 (0.41) | — | |
| SCHEMBL9625829 | 0.72 | GAA (0.44) | — | |
| SCHEMBL28232108 | 0.72 | — | — | |
| Acetic Acid SCHEMBL15648221 | 0.70 | ALDH1A1 (0.39) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1540013-B1 | EVOLVING NEW MOLECULAR FUNCTION | HARVARD COLLEGE (US) | 2015-07-08 | — | — | EP | disclosed |
| EP-1423400-B2 | EVOLVING NEW MOLECULAR FUNCTION | HARVARD COLLEGE (US) | 2013-05-22 | — | — | EP | disclosed |
| US-20120165228-A1 | EVOLVING NEW MOLECULAR FUNCTION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2012-06-28 | — | — | US | disclosed |
| US-8206914-B2 | Evolving new molecular function | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-06-26 | — | — | US | disclosed |
| US-7998904-B2 | Libraries of oligonucleotides created by genetic engineering | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2011-08-16 | — | — | US | disclosed |
| US-20110190141-A1 | Evolving New Molecular Function | PRESIDENT AND FELLOWS OF HAVARD COLLEGE (US) | 2011-08-04 | — | — | US | disclosed |
| US-7771935-B2 | Evolving new molecular function | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2010-08-10 | — | — | US | disclosed |
| US-7557068-B2 | Evolving new molecular function | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2009-07-07 | — | — | US | disclosed |
| US-7491494-B2 | Evolving new molecular function | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2009-02-17 | — | — | US | disclosed |
| US-7442160-B2 | Evolving new molecular function | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2008-10-28 | — | — | US | disclosed |
| US-7223545-B2 | Evolving new molecular function | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2007-05-29 | — | — | US | disclosed |