⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL48647 | 0.78 | — | — | |
| SCHEMBL1844808 | 0.78 | — | — | |
| SCHEMBL1537953 | 0.77 | — | — | |
| SCHEMBL3170150 | 0.77 | — | — | |
| SCHEMBL11680699 | 0.74 | — | — | |
| Ethylenediamine SCHEMBL28158412 | 0.74 | TSHR (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL11322909 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL1551990 | 0.74 | — | — | |
| SCHEMBL5056950 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL7213142 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190070305-A1 | BENZODIAZEPINES AND CONJUGATES THEREOF | IMMUNOGEN, INC. | 2019-03-07 | — | — | US | disclosed |
| WO-1993002131-A1 | AMINE-MODIFIED POLYESTER PIGMENT DISPERSING AGENTS | PPG INDUSTRIES, INC. (US) | 1993-02-04 | — | — | WO | disclosed |
| US-4223138-A | VAPORIZATION, CONDENSATION, RETARDING FLOW TO REACTION ZONE | BAYER AKTIENGESELLSCHAFT (DE) | 1980-09-16 | — | — | US | disclosed |
| US-3994882-A | ANTIMICROBIAL | KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JA) | 1976-11-30 | — | — | US | disclosed |