⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11595785 | 0.97 | — | — | |
| SCHEMBL9012228 | 0.75 | TSHR (0.55) | — | |
| SCHEMBL8915134 | 0.75 | — | — | |
| SCHEMBL27493498 | 0.73 | — | — | |
| Bromide SCHEMBL28957995 | 0.73 | GALR3 (0.40) | — | |
| Bromide SCHEMBL11714930 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL29033932 | 0.69 | CYP3A4 (0.38) | — | |
| SCHEMBL4580388 | 0.69 | — | — | |
| SCHEMBL4249901 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL30668518 | 0.67 | BBOX1 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110118262-A1 | Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-05-19 | — | — | US | disclosed |
| EP-2321274-A1 | PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010005783-A1 | PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-01-14 | — | — | WO | disclosed |
| US-4336322-A | DYE RELEASING REDOX COMPOUND | FUJI PHOTO FILM CO., LTD. (JP) | 1982-06-22 | — | — | US | disclosed |
| US-4316974-A | POLYAMIDEIMIDE COPOLYMERS | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1982-02-23 | — | — | US | disclosed |
| US-4315858-A | PENICILLIN DERIVATIVES | WARNER-LAMBERT COMPANY (US) | 1982-02-16 | — | — | US | disclosed |
| US-4310641-A | POLYAMIDE-IMIDE MODIFIED WITH A CINNAMOYL GROUP | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1982-01-12 | — | — | US | disclosed |
| US-4208477-A | POLYAMIDEIMIDE COPOLYMER ENDCAPPED WITH ACRYLIC GROUPS, PHOTOINITIATOR, ETHYLENICALLY UNSATURATED COMPOUND | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1980-06-17 | — | — | US | disclosed |
| US-4180404-A | Heat resistant photoresist composition and process for preparing the same | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1979-12-25 | — | — | US | disclosed |