⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26656786 | 0.92 | — | — | |
| SCHEMBL15345218 | 0.90 | PAOX (0.58) | — | |
| SCHEMBL9143482 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL12079411 | 0.74 | — | — | |
| SCHEMBL15345208 | 0.73 | — | — | |
| SCHEMBL15345228 | 0.72 | — | — | |
| SCHEMBL3506754 | 0.72 | — | — | |
| SCHEMBL27702566 | 0.72 | — | — | |
| SCHEMBL22131246 | 0.72 | — | — | |
| SCHEMBL13606693 | 0.72 | ALDH1A1 (0.47) | — |
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-20230203096-A1 | EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2023-06-29 | — | — | US | disclosed |
| US-20220162156-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME | Cellix Bio Provate Limited (IN) | 2022-05-26 | — | — | US | disclosed |
| US-11078154-B2 | Compositions and methods for the treatment of irritable bowel syndrome | CELLIX BIO PRIVATE LIMITED (IN) | 2021-08-03 | — | — | US | disclosed |
| US-20190177267-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME | CELLIX BIO PRIVATE LIMITED (IN) | 2019-06-13 | — | — | US | disclosed |
| US-20130280766-A1 | HYBRID POLYKETIDE SYNTHASES | THE REGENTS OF THE UNVERSITY OF CALIFORNIA (US) | 2013-10-24 | — | — | US | disclosed |