⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11007081 | 0.97 | — | — | |
| Fluoride SCHEMBL17966114 | 0.94 | ALDH1A1 (0.53) | — | |
| SCHEMBL14867 | 0.94 | — | — | |
| SCHEMBL28222778 | 0.94 | ALDH1A1 (0.59) | — | |
| Charcoal, Activated SCHEMBL6425744 | 0.92 | — | — | |
| Bromide SCHEMBL3107187 | 0.92 | ALDH1A1 (0.56) | — | |
| SCHEMBL1462870 | 0.92 | — | — | |
| SCHEMBL8609621 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL220696 | 0.92 | — | — | |
| SCHEMBL9405395 | 0.92 | — | — |
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-4410665-A | ((DIMETHYLAMINO)PROPYL)METHACRYLAMIDE-PHOSPHINE BORANE ADDUCT COPOLYMER, REDUCING AGENTS | ROHM AND HAAS COMPANY (US) | 1983-10-18 | — | — | US | disclosed |
| US-4355140-A | CROSSLINKED RESIN WITH AMINE OR PHOSPHINE GROUP | ROHM AND HAAS COMPANY (US) | 1982-10-19 | — | — | US | disclosed |
| US-4311812-A | Borane reducing resins | ROHM AND HAAS COMPANY (US) | 1982-01-19 | — | — | US | disclosed |
| US-4311811-A | Borane reducing resins | ROHM AND HAAS COMPANY (US) | 1982-01-19 | — | — | US | disclosed |
| US-4240909-A | NONIONIC AMINE-BORANE OR PHOSPHINE-BORANE ADDUCTS | ROHM AND HAAS COMPANY (US) | 1980-12-23 | — | — | US | disclosed |
| US-4223173-A | NONIONIC CROSSLINKED RESIN CONTAINING AMINE OR PHOSPHINE GROUPS ADDUCTED TO BORANE; HYDROGENATING OLEFINS, KETONES OR ALDEHYDES | ROHM AND HAAS COMPANY (US) | 1980-09-16 | — | — | US | disclosed |