⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17244059 | 0.79 | — | — | |
| SCHEMBL28715 | 0.77 | — | — | |
| SCHEMBL8497674 | 0.75 | ALDH1A1 (0.56) | — | |
| SCHEMBL20992074 | 0.75 | EGLN1 (0.39) | — | |
| Acrylic Acid SCHEMBL10595974 | 0.73 | ALDH1A1 (0.54) | — | |
| SCHEMBL23613245 | 0.73 | CTH (0.39) | — | |
| SCHEMBL15871616 | 0.73 | — | — | |
| SCHEMBL26430186 | 0.72 | ALDH1A1 (0.50) | — | |
| SCHEMBL4265308 | 0.71 | MAPT (0.35) | — | |
| SCHEMBL14365531 | 0.70 | CNR2 (0.37) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023183936-A2 | COMBINATION THERAPY OF A PI3K INHIBITOR AND KRAS INHIBITOR AND METHODS OF USE THEREOF | TOTUS MEDICINES INC. (US) | 2023-09-28 | — | — | WO | disclosed |
| US-10822352-B2 | Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2020-11-03 | — | — | US | disclosed |
| US-10807952-B2 | Compounds for treatment of immune inflammatory disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2020-10-20 | — | — | US | disclosed |
| US-20190211033-A1 | ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS | ACHILLION PHARMACEUTICALS, INC. (US) | 2019-07-11 | — | — | US | disclosed |
| US-10287301-B2 | Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2019-05-14 | — | — | US | disclosed |
| US-20180201580-A1 | COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS | ACHILLION PHARMACEUTICALS, INC. (US) | 2018-07-19 | — | — | US | disclosed |
| US-10011612-B2 | Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2018-07-03 | — | — | US | disclosed |
| US-20170066783-A1 | Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2017-03-09 | — | — | US | disclosed |
| WO-2015050767-A1 | LIGAND-FUNCTIONALIZED SUBSTRATES WITH ENHANCED BINDING CAPACITY | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2015-04-09 | — | — | WO | disclosed |