⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3612425 | 0.77 | GRIN2D (0.36) | — | |
| SCHEMBL65160 | 0.72 | — | — | |
| SCHEMBL246184 | 0.72 | — | — | |
| SCHEMBL17969194 | 0.72 | — | — | |
| SCHEMBL1278877 | 0.72 | — | — | |
| SCHEMBL949557 | 0.72 | — | — | |
| SCHEMBL10787067 | 0.69 | GRIN2D (0.31) | — | |
| SCHEMBL222556 | 0.69 | GRIN2D (0.31) | — | |
| SCHEMBL11717577 | 0.69 | GRIN2D (0.58) | — | |
| SCHEMBL891886 | 0.69 | MEN1 (0.38) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6852354-B2 | Polymer/substrate and polymer/polymer interfaces and methods of modeling and forming same | HONEYWELL INTERNATIONAL, INC. (US) | 2005-02-08 | — | — | US | disclosed |
| WO-2003083901-A2 | NOVEL POLYMER/SUBSTRATE AND POLYMER/POLYMER INTERFACES AND METHODS OF MODELING AND FORMING SAME | HONEYWELL INTERNATIONAL INC. (US) | 2003-10-09 | — | — | WO | disclosed |
| US-20030165695-A1 | Models and methods of integrating simulation techniques for advanced material predictive analysis | HONEYWELL INTERNATIONAL INC. | 2003-09-04 | — | — | US | disclosed |
| US-6544650-B2 | Modeling a first material with respect to a characteristic of the first material; modeling a second material with respect to a characteristic of the second value for characteristic; modeling an interface generating a set of evaluation data | HONEYWELL INTERNATIONAL INC. | 2003-04-08 | — | — | US | disclosed |
| US-20020157788-A1 | Novel polymer/substrate and polymer/polymer interfaces and methods of modeling and forming same | IWAMOTO NANCY E (US) | 2002-10-31 | — | — | US | disclosed |
| US-20020035446-A1 | Models and methods of integrating simulation techniques for advanced material predictive analysis | HONEYWELL INTERNATIONAL INC. | 2002-03-21 | — | — | US | disclosed |