⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4718719 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL239122 | 0.74 | CYP2A6 (0.37) | — | |
| SCHEMBL1215032 | 0.71 | RAB9A (0.46) | — | |
| SCHEMBL4276024 | 0.71 | KDM4E (0.46) | — | |
| SCHEMBL467192 | 0.71 | PPARA (0.33) | — | |
| SCHEMBL28957335 | 0.70 | CYP2A6 (0.44) | — | |
| SCHEMBL4719217 | 0.69 | HTR2C (0.34) | — | |
| SCHEMBL4722097 | 0.69 | — | — | |
| SCHEMBL6773803 | 0.69 | NTRK1 (0.30) | — | |
| SCHEMBL4721003 | 0.69 | — | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120165356-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2012-06-28 | — | — | US | disclosed |
| EP-2399577-A1 | Use of N-containing spirocompounds for the enhancement of cognitive function | Adolor Corporation (US) | 2011-12-28 | — | — | EP | disclosed |
| US-8071611-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2011-12-06 | — | — | US | disclosed |
| US-8022060-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2011-09-20 | — | — | US | disclosed |
| US-20110218186-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2011-09-08 | — | — | US | disclosed |
| US-7906646-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2011-03-15 | — | — | US | disclosed |
| US-20100280058-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2010-11-04 | — | — | US | disclosed |
| US-20100222374-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2010-09-02 | — | — | US | disclosed |
| US-20100120808-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2010-05-13 | — | — | US | disclosed |
| US-20100029614-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2010-02-04 | — | — | US | disclosed |
| US-20080119452-A1 | METHODS FOR ENHANCING COGNITIVE FUNCTION | CALIXA THERAPEUTICS, INC. | 2008-05-22 | — | — | US | disclosed |
| US-20080102031-A1 | Spirocyclic Heterocyclic Derivatives And Methods Of Their Use | ADOLOR CORPORATION (US) | 2008-05-01 | — | — | US | disclosed |
| WO-2008033299-A2 | USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION | ADOLOR CORPORATION (US) | 2008-03-20 | — | — | WO | disclosed |
| US-7338962-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2008-03-04 | — | — | US | disclosed |
| EP-1871761-A2 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | Adolor Corporation (US) | 2008-01-02 | — | — | EP | disclosed |
| US-20060270695-A1 | Spirocyclic heterocyclic derivatives and methods of their use | CUBIST PHARMACEUTICALS, INC. | 2006-11-30 | — | — | US | disclosed |
| WO-2006105442-A2 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2006-10-05 | — | — | WO | disclosed |
| EP-1675847-A2 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | Adolor Corporation (US) | 2006-07-05 | — | — | EP | disclosed |
| US-20050159438-A1 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION | 2005-07-21 | — | — | US | disclosed |
| WO-2005033073-A2 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2005-04-14 | — | — | WO | disclosed |