⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1114502 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL29991295 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL30902236 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL30902255 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL6225194 | 0.74 | — | — | |
| SCHEMBL28486052 | 0.71 | — | — | |
| SCHEMBL6235022 | 0.71 | — | — | |
| SCHEMBL27795299 | 0.71 | — | — | |
| SCHEMBL6235031 | 0.71 | — | — | |
| SCHEMBL9416890 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0979814-B1 | Improved synthesis of haloformimine compounds | ROHM & HAAS (US) | 2003-10-22 | — | — | EP | claimed |
| US-6207863-B1 | MAINTAINING A PH BETWEEN 2 AND 5 DURING THE HALOGENATION OF FORMIMINES GREATLY INCREASES THE YIELDS OF HALOFORMIMINES AND GREATLY DECREASES THE RATE OF BY-PRODUCT FORMATION. | ROHM AND HAAS COMPANY | 2001-03-27 | — | — | US | claimed |
| EP-0979814-A1 | Improved synthesis of haloformimine compounds | ROHM AND HAAS COMPANY (US) | 2000-02-16 | — | — | EP | claimed |
| EP-0979814-B1 | Improved synthesis of haloformimine compounds | ROHM & HAAS (US) | 2003-10-22 | — | — | EP | disclosed |
| US-6207863-B1 | MAINTAINING A PH BETWEEN 2 AND 5 DURING THE HALOGENATION OF FORMIMINES GREATLY INCREASES THE YIELDS OF HALOFORMIMINES AND GREATLY DECREASES THE RATE OF BY-PRODUCT FORMATION. | ROHM AND HAAS COMPANY | 2001-03-27 | — | — | US | disclosed |
| EP-0979814-A1 | Improved synthesis of haloformimine compounds | ROHM AND HAAS COMPANY (US) | 2000-02-16 | — | — | EP | disclosed |